Jump To Section:

Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References XML

Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2021-09-11 08:26:34 UTC

Update Date

2021-09-26 23:02:59 UTC

HMDB ID

HMDB0251137

Secondary Accession Numbers

None

Metabolite Identification

Common Name

Diaminoguanidine

Description

Diaminoguanidine belongs to the class of organic compounds known as guanidines. Guanidines are compounds containing a guanidine moiety, with the general structure (R1R2N)(R3R4N)C=N-R5. Based on a literature review a significant number of articles have been published on Diaminoguanidine. This compound has been identified in human blood as reported by (PMID: 31557052 ). Diaminoguanidine is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Diaminoguanidine is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

View in JSmol View Stereo Labels

Synonyms

Value	Source
Diaminoguanidine dihydrochloride	HMDB
Diaminoguanidine hydrobromide	HMDB
Diaminoguanidine hydrochloride	HMDB
Diaminoguanidine monohydrochloride	HMDB

Chemical Formula

CH₇N₅

Average Molecular Weight

89.102

Monoisotopic Molecular Weight

89.070145245

IUPAC Name

N,N-diaminoguanidine

Traditional Name

N,N-diaminoguanidine

CAS Registry Number

Not Available

SMILES

NN(N)C(N)=N

InChI Identifier

InChI=1S/CH7N5/c2-1(3)6(4)5/h4-5H2,(H3,2,3)

InChI Key

FQQQSNAVVZSYMB-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as guanidines. Guanidines are compounds containing a guanidine moiety, with the general structure (R1R2N)(R3R4N)C=N-R5.

Kingdom

Organic compounds

Super Class

Organic nitrogen compounds

Class

Organonitrogen compounds

Sub Class

Guanidines

Direct Parent

Guanidines

Alternative Parents

Substituents

Organic triazane
Guanidine
Carboximidamide
Organopnictogen compound
Hydrocarbon derivative
Imine
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 31557052)

Source

Exogenous

Exogenous (PMID: 31557052)

Process

Not Available

Role

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
logP	-1.6	ALOGPS
logP	-1.8	ChemAxon
logS	-1.2	ALOGPS
pKa (Strongest Basic)	11.69	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	105.15 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	35.21 m³·mol⁻¹	ChemAxon
Polarizability	8.18 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	121.31	30932474
DeepCCS	[M-H]-	119.414	30932474
DeepCCS	[M-2H]-	154.813	30932474
DeepCCS	[M+Na]+	129.058	30932474
AllCCS	[M+H]+	127.5	32859911
AllCCS	[M+H-H2O]+	123.2	32859911
AllCCS	[M+NH4]+	131.5	32859911
AllCCS	[M+Na]+	132.6	32859911
AllCCS	[M-H]-	119.6	32859911
AllCCS	[M+Na-2H]-	124.4	32859911
AllCCS	[M+HCOO]-	129.7	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Diaminoguanidine	NN(N)C(N)=N	2259.3	Standard polar	33892256
Diaminoguanidine	NN(N)C(N)=N	1146.8	Standard non polar	33892256
Diaminoguanidine	NN(N)C(N)=N	1794.6	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Diaminoguanidine,1TMS,isomer #1	C[Si](C)(C)NN(N)C(=N)N	1639.3	Semi standard non polar	33892256
Diaminoguanidine,1TMS,isomer #1	C[Si](C)(C)NN(N)C(=N)N	1241.7	Standard non polar	33892256
Diaminoguanidine,1TMS,isomer #1	C[Si](C)(C)NN(N)C(=N)N	2934.1	Standard polar	33892256
Diaminoguanidine,1TMS,isomer #2	C[Si](C)(C)NC(=N)N(N)N	1671.9	Semi standard non polar	33892256
Diaminoguanidine,1TMS,isomer #2	C[Si](C)(C)NC(=N)N(N)N	1277.4	Standard non polar	33892256
Diaminoguanidine,1TMS,isomer #2	C[Si](C)(C)NC(=N)N(N)N	3060.5	Standard polar	33892256
Diaminoguanidine,1TMS,isomer #3	C[Si](C)(C)N=C(N)N(N)N	1570.8	Semi standard non polar	33892256
Diaminoguanidine,1TMS,isomer #3	C[Si](C)(C)N=C(N)N(N)N	1338.0	Standard non polar	33892256
Diaminoguanidine,1TMS,isomer #3	C[Si](C)(C)N=C(N)N(N)N	2828.6	Standard polar	33892256
Diaminoguanidine,2TMS,isomer #1	C[Si](C)(C)NN(N[Si](C)(C)C)C(=N)N	1688.9	Semi standard non polar	33892256
Diaminoguanidine,2TMS,isomer #1	C[Si](C)(C)NN(N[Si](C)(C)C)C(=N)N	1317.3	Standard non polar	33892256
Diaminoguanidine,2TMS,isomer #1	C[Si](C)(C)NN(N[Si](C)(C)C)C(=N)N	2735.8	Standard polar	33892256
Diaminoguanidine,2TMS,isomer #2	C[Si](C)(C)NC(=N)N(N)N[Si](C)(C)C	1664.2	Semi standard non polar	33892256
Diaminoguanidine,2TMS,isomer #2	C[Si](C)(C)NC(=N)N(N)N[Si](C)(C)C	1330.9	Standard non polar	33892256
Diaminoguanidine,2TMS,isomer #2	C[Si](C)(C)NC(=N)N(N)N[Si](C)(C)C	2854.8	Standard polar	33892256
Diaminoguanidine,2TMS,isomer #3	C[Si](C)(C)N(N(N)C(=N)N)[Si](C)(C)C	1621.9	Semi standard non polar	33892256
Diaminoguanidine,2TMS,isomer #3	C[Si](C)(C)N(N(N)C(=N)N)[Si](C)(C)C	1311.0	Standard non polar	33892256
Diaminoguanidine,2TMS,isomer #3	C[Si](C)(C)N(N(N)C(=N)N)[Si](C)(C)C	3029.8	Standard polar	33892256
Diaminoguanidine,2TMS,isomer #4	C[Si](C)(C)N=C(N)N(N)N[Si](C)(C)C	1572.0	Semi standard non polar	33892256
Diaminoguanidine,2TMS,isomer #4	C[Si](C)(C)N=C(N)N(N)N[Si](C)(C)C	1366.3	Standard non polar	33892256
Diaminoguanidine,2TMS,isomer #4	C[Si](C)(C)N=C(N)N(N)N[Si](C)(C)C	2732.3	Standard polar	33892256
Diaminoguanidine,2TMS,isomer #5	C[Si](C)(C)N(C(=N)N(N)N)[Si](C)(C)C	1701.7	Semi standard non polar	33892256
Diaminoguanidine,2TMS,isomer #5	C[Si](C)(C)N(C(=N)N(N)N)[Si](C)(C)C	1450.7	Standard non polar	33892256
Diaminoguanidine,2TMS,isomer #5	C[Si](C)(C)N(C(=N)N(N)N)[Si](C)(C)C	3055.4	Standard polar	33892256
Diaminoguanidine,2TMS,isomer #6	C[Si](C)(C)N=C(N[Si](C)(C)C)N(N)N	1585.3	Semi standard non polar	33892256
Diaminoguanidine,2TMS,isomer #6	C[Si](C)(C)N=C(N[Si](C)(C)C)N(N)N	1363.7	Standard non polar	33892256
Diaminoguanidine,2TMS,isomer #6	C[Si](C)(C)N=C(N[Si](C)(C)C)N(N)N	2814.9	Standard polar	33892256
Diaminoguanidine,3TMS,isomer #1	C[Si](C)(C)NC(=N)N(N[Si](C)(C)C)N[Si](C)(C)C	1707.8	Semi standard non polar	33892256
Diaminoguanidine,3TMS,isomer #1	C[Si](C)(C)NC(=N)N(N[Si](C)(C)C)N[Si](C)(C)C	1403.3	Standard non polar	33892256
Diaminoguanidine,3TMS,isomer #1	C[Si](C)(C)NC(=N)N(N[Si](C)(C)C)N[Si](C)(C)C	2575.1	Standard polar	33892256
Diaminoguanidine,3TMS,isomer #2	C[Si](C)(C)NN(C(=N)N)N([Si](C)(C)C)[Si](C)(C)C	1711.4	Semi standard non polar	33892256
Diaminoguanidine,3TMS,isomer #2	C[Si](C)(C)NN(C(=N)N)N([Si](C)(C)C)[Si](C)(C)C	1411.7	Standard non polar	33892256
Diaminoguanidine,3TMS,isomer #2	C[Si](C)(C)NN(C(=N)N)N([Si](C)(C)C)[Si](C)(C)C	2623.0	Standard polar	33892256
Diaminoguanidine,3TMS,isomer #3	C[Si](C)(C)N=C(N)N(N[Si](C)(C)C)N[Si](C)(C)C	1626.3	Semi standard non polar	33892256
Diaminoguanidine,3TMS,isomer #3	C[Si](C)(C)N=C(N)N(N[Si](C)(C)C)N[Si](C)(C)C	1329.3	Standard non polar	33892256
Diaminoguanidine,3TMS,isomer #3	C[Si](C)(C)N=C(N)N(N[Si](C)(C)C)N[Si](C)(C)C	2591.7	Standard polar	33892256
Diaminoguanidine,3TMS,isomer #4	C[Si](C)(C)NN(N)C(=N)N([Si](C)(C)C)[Si](C)(C)C	1703.8	Semi standard non polar	33892256
Diaminoguanidine,3TMS,isomer #4	C[Si](C)(C)NN(N)C(=N)N([Si](C)(C)C)[Si](C)(C)C	1450.1	Standard non polar	33892256
Diaminoguanidine,3TMS,isomer #4	C[Si](C)(C)NN(N)C(=N)N([Si](C)(C)C)[Si](C)(C)C	2688.3	Standard polar	33892256
Diaminoguanidine,3TMS,isomer #5	C[Si](C)(C)N=C(N[Si](C)(C)C)N(N)N[Si](C)(C)C	1613.1	Semi standard non polar	33892256
Diaminoguanidine,3TMS,isomer #5	C[Si](C)(C)N=C(N[Si](C)(C)C)N(N)N[Si](C)(C)C	1339.3	Standard non polar	33892256
Diaminoguanidine,3TMS,isomer #5	C[Si](C)(C)N=C(N[Si](C)(C)C)N(N)N[Si](C)(C)C	2748.2	Standard polar	33892256
Diaminoguanidine,3TMS,isomer #6	C[Si](C)(C)NC(=N)N(N)N([Si](C)(C)C)[Si](C)(C)C	1703.7	Semi standard non polar	33892256
Diaminoguanidine,3TMS,isomer #6	C[Si](C)(C)NC(=N)N(N)N([Si](C)(C)C)[Si](C)(C)C	1439.7	Standard non polar	33892256
Diaminoguanidine,3TMS,isomer #6	C[Si](C)(C)NC(=N)N(N)N([Si](C)(C)C)[Si](C)(C)C	2822.3	Standard polar	33892256
Diaminoguanidine,3TMS,isomer #7	C[Si](C)(C)N=C(N)N(N)N([Si](C)(C)C)[Si](C)(C)C	1585.0	Semi standard non polar	33892256
Diaminoguanidine,3TMS,isomer #7	C[Si](C)(C)N=C(N)N(N)N([Si](C)(C)C)[Si](C)(C)C	1484.1	Standard non polar	33892256
Diaminoguanidine,3TMS,isomer #7	C[Si](C)(C)N=C(N)N(N)N([Si](C)(C)C)[Si](C)(C)C	2866.4	Standard polar	33892256
Diaminoguanidine,3TMS,isomer #8	C[Si](C)(C)N=C(N(N)N)N([Si](C)(C)C)[Si](C)(C)C	1565.5	Semi standard non polar	33892256
Diaminoguanidine,3TMS,isomer #8	C[Si](C)(C)N=C(N(N)N)N([Si](C)(C)C)[Si](C)(C)C	1627.3	Standard non polar	33892256
Diaminoguanidine,3TMS,isomer #8	C[Si](C)(C)N=C(N(N)N)N([Si](C)(C)C)[Si](C)(C)C	2710.8	Standard polar	33892256
Diaminoguanidine,4TMS,isomer #1	C[Si](C)(C)NN(N[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C	1728.8	Semi standard non polar	33892256
Diaminoguanidine,4TMS,isomer #1	C[Si](C)(C)NN(N[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C	1546.2	Standard non polar	33892256
Diaminoguanidine,4TMS,isomer #1	C[Si](C)(C)NN(N[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C	2277.3	Standard polar	33892256
Diaminoguanidine,4TMS,isomer #2	C[Si](C)(C)N=C(N[Si](C)(C)C)N(N[Si](C)(C)C)N[Si](C)(C)C	1638.0	Semi standard non polar	33892256
Diaminoguanidine,4TMS,isomer #2	C[Si](C)(C)N=C(N[Si](C)(C)C)N(N[Si](C)(C)C)N[Si](C)(C)C	1395.9	Standard non polar	33892256
Diaminoguanidine,4TMS,isomer #2	C[Si](C)(C)N=C(N[Si](C)(C)C)N(N[Si](C)(C)C)N[Si](C)(C)C	2463.8	Standard polar	33892256
Diaminoguanidine,4TMS,isomer #3	C[Si](C)(C)NC(=N)N(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	1733.1	Semi standard non polar	33892256
Diaminoguanidine,4TMS,isomer #3	C[Si](C)(C)NC(=N)N(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	1543.4	Standard non polar	33892256
Diaminoguanidine,4TMS,isomer #3	C[Si](C)(C)NC(=N)N(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2356.6	Standard polar	33892256
Diaminoguanidine,4TMS,isomer #4	C[Si](C)(C)N(N(C(=N)N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	1859.9	Semi standard non polar	33892256
Diaminoguanidine,4TMS,isomer #4	C[Si](C)(C)N(N(C(=N)N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	1589.8	Standard non polar	33892256
Diaminoguanidine,4TMS,isomer #4	C[Si](C)(C)N(N(C(=N)N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2467.2	Standard polar	33892256
Diaminoguanidine,4TMS,isomer #5	C[Si](C)(C)N=C(N)N(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	1648.8	Semi standard non polar	33892256
Diaminoguanidine,4TMS,isomer #5	C[Si](C)(C)N=C(N)N(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	1491.7	Standard non polar	33892256
Diaminoguanidine,4TMS,isomer #5	C[Si](C)(C)N=C(N)N(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2532.3	Standard polar	33892256
Diaminoguanidine,4TMS,isomer #6	C[Si](C)(C)N(C(=N)N(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	1769.5	Semi standard non polar	33892256
Diaminoguanidine,4TMS,isomer #6	C[Si](C)(C)N(C(=N)N(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	1639.5	Standard non polar	33892256
Diaminoguanidine,4TMS,isomer #6	C[Si](C)(C)N(C(=N)N(N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2639.5	Standard polar	33892256
Diaminoguanidine,4TMS,isomer #7	C[Si](C)(C)N=C(N(N)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	1618.2	Semi standard non polar	33892256
Diaminoguanidine,4TMS,isomer #7	C[Si](C)(C)N=C(N(N)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	1575.6	Standard non polar	33892256
Diaminoguanidine,4TMS,isomer #7	C[Si](C)(C)N=C(N(N)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2549.9	Standard polar	33892256
Diaminoguanidine,4TMS,isomer #8	C[Si](C)(C)N=C(N[Si](C)(C)C)N(N)N([Si](C)(C)C)[Si](C)(C)C	1644.6	Semi standard non polar	33892256
Diaminoguanidine,4TMS,isomer #8	C[Si](C)(C)N=C(N[Si](C)(C)C)N(N)N([Si](C)(C)C)[Si](C)(C)C	1510.6	Standard non polar	33892256
Diaminoguanidine,4TMS,isomer #8	C[Si](C)(C)N=C(N[Si](C)(C)C)N(N)N([Si](C)(C)C)[Si](C)(C)C	2746.9	Standard polar	33892256
Diaminoguanidine,5TMS,isomer #1	C[Si](C)(C)NN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	1851.0	Semi standard non polar	33892256
Diaminoguanidine,5TMS,isomer #1	C[Si](C)(C)NN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	1725.5	Standard non polar	33892256
Diaminoguanidine,5TMS,isomer #1	C[Si](C)(C)NN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2119.4	Standard polar	33892256
Diaminoguanidine,5TMS,isomer #2	C[Si](C)(C)N=C(N(N[Si](C)(C)C)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	1684.1	Semi standard non polar	33892256
Diaminoguanidine,5TMS,isomer #2	C[Si](C)(C)N=C(N(N[Si](C)(C)C)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	1595.2	Standard non polar	33892256
Diaminoguanidine,5TMS,isomer #2	C[Si](C)(C)N=C(N(N[Si](C)(C)C)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2072.5	Standard polar	33892256
Diaminoguanidine,5TMS,isomer #3	C[Si](C)(C)N=C(N[Si](C)(C)C)N(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	1718.3	Semi standard non polar	33892256
Diaminoguanidine,5TMS,isomer #3	C[Si](C)(C)N=C(N[Si](C)(C)C)N(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	1575.6	Standard non polar	33892256
Diaminoguanidine,5TMS,isomer #3	C[Si](C)(C)N=C(N[Si](C)(C)C)N(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2236.6	Standard polar	33892256
Diaminoguanidine,5TMS,isomer #4	C[Si](C)(C)NC(=N)N(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	1882.5	Semi standard non polar	33892256
Diaminoguanidine,5TMS,isomer #4	C[Si](C)(C)NC(=N)N(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	1713.5	Standard non polar	33892256
Diaminoguanidine,5TMS,isomer #4	C[Si](C)(C)NC(=N)N(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2133.7	Standard polar	33892256
Diaminoguanidine,5TMS,isomer #5	C[Si](C)(C)N=C(N)N(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	1807.3	Semi standard non polar	33892256
Diaminoguanidine,5TMS,isomer #5	C[Si](C)(C)N=C(N)N(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	1654.3	Standard non polar	33892256
Diaminoguanidine,5TMS,isomer #5	C[Si](C)(C)N=C(N)N(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2417.5	Standard polar	33892256
Diaminoguanidine,5TMS,isomer #6	C[Si](C)(C)N=C(N(N)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	1791.4	Semi standard non polar	33892256
Diaminoguanidine,5TMS,isomer #6	C[Si](C)(C)N=C(N(N)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	1760.6	Standard non polar	33892256
Diaminoguanidine,5TMS,isomer #6	C[Si](C)(C)N=C(N(N)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2540.8	Standard polar	33892256
Diaminoguanidine,6TMS,isomer #1	C[Si](C)(C)N(C(=N)N(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2003.4	Semi standard non polar	33892256
Diaminoguanidine,6TMS,isomer #1	C[Si](C)(C)N(C(=N)N(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	1934.2	Standard non polar	33892256
Diaminoguanidine,6TMS,isomer #1	C[Si](C)(C)N(C(=N)N(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	1971.4	Standard polar	33892256
Diaminoguanidine,6TMS,isomer #2	C[Si](C)(C)N=C(N(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	1881.9	Semi standard non polar	33892256
Diaminoguanidine,6TMS,isomer #2	C[Si](C)(C)N=C(N(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	1797.0	Standard non polar	33892256
Diaminoguanidine,6TMS,isomer #2	C[Si](C)(C)N=C(N(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	1934.5	Standard polar	33892256
Diaminoguanidine,6TMS,isomer #3	C[Si](C)(C)N=C(N[Si](C)(C)C)N(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	1886.0	Semi standard non polar	33892256
Diaminoguanidine,6TMS,isomer #3	C[Si](C)(C)N=C(N[Si](C)(C)C)N(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	1746.2	Standard non polar	33892256
Diaminoguanidine,6TMS,isomer #3	C[Si](C)(C)N=C(N[Si](C)(C)C)N(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2037.2	Standard polar	33892256
Diaminoguanidine,7TMS,isomer #1	C[Si](C)(C)N=C(N(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2050.7	Semi standard non polar	33892256
Diaminoguanidine,7TMS,isomer #1	C[Si](C)(C)N=C(N(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	1973.2	Standard non polar	33892256
Diaminoguanidine,7TMS,isomer #1	C[Si](C)(C)N=C(N(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	1807.3	Standard polar	33892256
Diaminoguanidine,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NN(N)C(=N)N	1857.4	Semi standard non polar	33892256
Diaminoguanidine,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NN(N)C(=N)N	1316.2	Standard non polar	33892256
Diaminoguanidine,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NN(N)C(=N)N	3127.4	Standard polar	33892256
Diaminoguanidine,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=N)N(N)N	1836.4	Semi standard non polar	33892256
Diaminoguanidine,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=N)N(N)N	1391.8	Standard non polar	33892256
Diaminoguanidine,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=N)N(N)N	3268.7	Standard polar	33892256
Diaminoguanidine,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N=C(N)N(N)N	1819.4	Semi standard non polar	33892256
Diaminoguanidine,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N=C(N)N(N)N	1512.6	Standard non polar	33892256
Diaminoguanidine,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N=C(N)N(N)N	3085.7	Standard polar	33892256
Diaminoguanidine,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NN(N[Si](C)(C)C(C)(C)C)C(=N)N	2088.3	Semi standard non polar	33892256
Diaminoguanidine,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NN(N[Si](C)(C)C(C)(C)C)C(=N)N	1654.7	Standard non polar	33892256
Diaminoguanidine,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NN(N[Si](C)(C)C(C)(C)C)C(=N)N	2872.3	Standard polar	33892256
Diaminoguanidine,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=N)N(N)N[Si](C)(C)C(C)(C)C	2153.3	Semi standard non polar	33892256
Diaminoguanidine,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=N)N(N)N[Si](C)(C)C(C)(C)C	1654.4	Standard non polar	33892256
Diaminoguanidine,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=N)N(N)N[Si](C)(C)C(C)(C)C	2951.9	Standard polar	33892256
Diaminoguanidine,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N(N(N)C(=N)N)[Si](C)(C)C(C)(C)C	1999.2	Semi standard non polar	33892256
Diaminoguanidine,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N(N(N)C(=N)N)[Si](C)(C)C(C)(C)C	1657.2	Standard non polar	33892256
Diaminoguanidine,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N(N(N)C(=N)N)[Si](C)(C)C(C)(C)C	3048.4	Standard polar	33892256
Diaminoguanidine,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N=C(N)N(N)N[Si](C)(C)C(C)(C)C	2004.1	Semi standard non polar	33892256
Diaminoguanidine,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N=C(N)N(N)N[Si](C)(C)C(C)(C)C	1690.4	Standard non polar	33892256
Diaminoguanidine,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N=C(N)N(N)N[Si](C)(C)C(C)(C)C	2940.3	Standard polar	33892256
Diaminoguanidine,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N(C(=N)N(N)N)[Si](C)(C)C(C)(C)C	2048.0	Semi standard non polar	33892256
Diaminoguanidine,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N(C(=N)N(N)N)[Si](C)(C)C(C)(C)C	1769.2	Standard non polar	33892256
Diaminoguanidine,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N(C(=N)N(N)N)[Si](C)(C)C(C)(C)C	3038.9	Standard polar	33892256
Diaminoguanidine,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(N)N	2079.8	Semi standard non polar	33892256
Diaminoguanidine,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(N)N	1707.1	Standard non polar	33892256
Diaminoguanidine,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(N)N	2974.7	Standard polar	33892256
Diaminoguanidine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=N)N(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	2365.7	Semi standard non polar	33892256
Diaminoguanidine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=N)N(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	1990.3	Standard non polar	33892256
Diaminoguanidine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=N)N(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	2660.9	Standard polar	33892256
Diaminoguanidine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NN(C(=N)N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2232.0	Semi standard non polar	33892256
Diaminoguanidine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NN(C(=N)N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2024.6	Standard non polar	33892256
Diaminoguanidine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NN(C(=N)N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2785.9	Standard polar	33892256
Diaminoguanidine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N=C(N)N(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	2189.1	Semi standard non polar	33892256
Diaminoguanidine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N=C(N)N(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	1951.9	Standard non polar	33892256
Diaminoguanidine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N=C(N)N(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	2854.3	Standard polar	33892256
Diaminoguanidine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NN(N)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2279.0	Semi standard non polar	33892256
Diaminoguanidine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NN(N)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2039.2	Standard non polar	33892256
Diaminoguanidine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NN(N)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2825.6	Standard polar	33892256
Diaminoguanidine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(N)N[Si](C)(C)C(C)(C)C	2198.8	Semi standard non polar	33892256
Diaminoguanidine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(N)N[Si](C)(C)C(C)(C)C	1933.1	Standard non polar	33892256
Diaminoguanidine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(N)N[Si](C)(C)C(C)(C)C	2937.2	Standard polar	33892256
Diaminoguanidine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(=N)N(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2289.4	Semi standard non polar	33892256
Diaminoguanidine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(=N)N(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2035.6	Standard non polar	33892256
Diaminoguanidine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(=N)N(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2921.2	Standard polar	33892256
Diaminoguanidine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C(N)N(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2175.4	Semi standard non polar	33892256
Diaminoguanidine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C(N)N(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2051.3	Standard non polar	33892256
Diaminoguanidine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C(N)N(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3044.9	Standard polar	33892256
Diaminoguanidine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N=C(N(N)N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2166.1	Semi standard non polar	33892256
Diaminoguanidine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N=C(N(N)N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2176.4	Standard non polar	33892256
Diaminoguanidine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N=C(N(N)N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2886.3	Standard polar	33892256
Diaminoguanidine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NN(N[Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2554.9	Semi standard non polar	33892256
Diaminoguanidine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NN(N[Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2306.3	Standard non polar	33892256
Diaminoguanidine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NN(N[Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2525.4	Standard polar	33892256
Diaminoguanidine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	2444.2	Semi standard non polar	33892256
Diaminoguanidine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	2191.7	Standard non polar	33892256
Diaminoguanidine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	2555.4	Standard polar	33892256
Diaminoguanidine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=N)N(N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2549.9	Semi standard non polar	33892256
Diaminoguanidine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=N)N(N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2288.9	Standard non polar	33892256
Diaminoguanidine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=N)N(N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2552.0	Standard polar	33892256
Diaminoguanidine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N(N(C(=N)N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2487.2	Semi standard non polar	33892256
Diaminoguanidine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N(N(C(=N)N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2323.9	Standard non polar	33892256
Diaminoguanidine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N(N(C(=N)N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2698.7	Standard polar	33892256
Diaminoguanidine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N=C(N)N(N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2425.2	Semi standard non polar	33892256
Diaminoguanidine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N=C(N)N(N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2275.2	Standard non polar	33892256
Diaminoguanidine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N=C(N)N(N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2815.2	Standard polar	33892256
Diaminoguanidine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N(C(=N)N(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2520.3	Semi standard non polar	33892256
Diaminoguanidine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N(C(=N)N(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2383.9	Standard non polar	33892256
Diaminoguanidine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N(C(=N)N(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2880.7	Standard polar	33892256
Diaminoguanidine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C(N(N)N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2423.0	Semi standard non polar	33892256
Diaminoguanidine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C(N(N)N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2311.9	Standard non polar	33892256
Diaminoguanidine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C(N(N)N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2779.9	Standard polar	33892256
Diaminoguanidine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2426.7	Semi standard non polar	33892256
Diaminoguanidine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2280.8	Standard non polar	33892256
Diaminoguanidine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2987.9	Standard polar	33892256
Diaminoguanidine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NN(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2763.6	Semi standard non polar	33892256
Diaminoguanidine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NN(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2602.2	Standard non polar	33892256
Diaminoguanidine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NN(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2528.0	Standard polar	33892256
Diaminoguanidine,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N=C(N(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2665.8	Semi standard non polar	33892256
Diaminoguanidine,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N=C(N(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2545.7	Standard non polar	33892256
Diaminoguanidine,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N=C(N(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2472.9	Standard polar	33892256
Diaminoguanidine,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2659.3	Semi standard non polar	33892256
Diaminoguanidine,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2510.1	Standard non polar	33892256
Diaminoguanidine,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2555.1	Standard polar	33892256
Diaminoguanidine,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(=N)N(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2781.6	Semi standard non polar	33892256
Diaminoguanidine,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(=N)N(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2586.2	Standard non polar	33892256
Diaminoguanidine,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(=N)N(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2531.5	Standard polar	33892256
Diaminoguanidine,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N=C(N)N(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2657.3	Semi standard non polar	33892256
Diaminoguanidine,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N=C(N)N(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2571.0	Standard non polar	33892256
Diaminoguanidine,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N=C(N)N(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2786.7	Standard polar	33892256
Diaminoguanidine,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N=C(N(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2683.9	Semi standard non polar	33892256
Diaminoguanidine,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N=C(N(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2642.6	Standard non polar	33892256
Diaminoguanidine,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N=C(N(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2881.3	Standard polar	33892256
Diaminoguanidine,6TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N(C(=N)N(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3004.2	Semi standard non polar	33892256
Diaminoguanidine,6TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N(C(=N)N(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2905.0	Standard non polar	33892256
Diaminoguanidine,6TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N(C(=N)N(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2495.0	Standard polar	33892256
Diaminoguanidine,6TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N=C(N(N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2939.1	Semi standard non polar	33892256
Diaminoguanidine,6TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N=C(N(N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2863.7	Standard non polar	33892256
Diaminoguanidine,6TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N=C(N(N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2463.2	Standard polar	33892256
Diaminoguanidine,6TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2909.0	Semi standard non polar	33892256
Diaminoguanidine,6TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2830.0	Standard non polar	33892256
Diaminoguanidine,6TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2517.1	Standard polar	33892256
Diaminoguanidine,7TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N=C(N(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3194.7	Semi standard non polar	33892256
Diaminoguanidine,7TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N=C(N(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3178.2	Standard non polar	33892256
Diaminoguanidine,7TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N=C(N(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2512.6	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Diaminoguanidine GC-MS (Non-derivatized) - 70eV, Positive	splash10-0006-9000000000-8a69e72cb39a05bc70d3	2021-09-24	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Diaminoguanidine GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Diaminoguanidine 10V, Positive-QTOF	splash10-0007-9000000000-cdb81d7eddd6a1f0ad2c	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Diaminoguanidine 20V, Positive-QTOF	splash10-006t-9000000000-011965b09cd994ca1bc6	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Diaminoguanidine 40V, Positive-QTOF	splash10-0007-9000000000-eef813774bd2ce3d990b	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Diaminoguanidine 10V, Negative-QTOF	splash10-000i-9000000000-3fa7cfaca02f43a9e720	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Diaminoguanidine 20V, Negative-QTOF	splash10-0006-9000000000-80d4d5ec34fc60a7c8da	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Diaminoguanidine 40V, Negative-QTOF	splash10-0006-9000000000-4e99b92ad40bc9180188	2021-10-12	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	31557052	details

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

133266

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

151203

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]

Showing metabocard for Diaminoguanidine (HMDB0251137)

MOL for HMDB0251137 (Diaminoguanidine)

3D MOL for HMDB0251137 (Diaminoguanidine)

3D SDF for HMDB0251137 (Diaminoguanidine)

3D-SDF for HMDB0251137 (Diaminoguanidine)

PDB for HMDB0251137 (Diaminoguanidine)

3D PDB for HMDB0251137 (Diaminoguanidine)

SMILES for HMDB0251137 (Diaminoguanidine)

INCHI for HMDB0251137 (Diaminoguanidine)

Structure for HMDB0251137 (Diaminoguanidine)

3D Structure for HMDB0251137 (Diaminoguanidine)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra