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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 18:43:16 UTC

Update Date

2023-02-21 17:23:48 UTC

HMDB ID

HMDB0033947

Secondary Accession Numbers

HMDB33947

Metabolite Identification

Common Name

2-Aminobenzamide

Description

2-Aminobenzamide belongs to the class of organic compounds known as anthranilamides. These are aromatic compound containing a benzene carboxamide moiety that carries an amine group at the 2-position of the benzene ring. Based on a literature review very few articles have been published on 2-Aminobenzamide.

Structure

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

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
2-amino-Benzamideanthranilamide	ChEMBL, HMDB
2-amino-Benzamide	HMDB
2-Carbamoylaniline	HMDB
2-Carbamoylaniline, anthranilimidic acid	HMDB
Aminobenzamide	HMDB
Anthranilamide	HMDB
Anthranilic acid amide	HMDB
Anthranilimidic acid	HMDB
Benzoic acid, 2-amino-, amide	HMDB
O-amino-Benzamide	HMDB
O-Aminobenzamide	HMDB
ortho-Aminobenzamide	MeSH, HMDB
2-Aminobenzene-1-carboximidate	Generator
2-Aminobenzamide	MeSH

Chemical Formula

C₇H₈N₂O

Average Molecular Weight

136.1512

Monoisotopic Molecular Weight

136.063662888

IUPAC Name

2-aminobenzamide

Traditional Name

benzamide, 2-amino-

CAS Registry Number

88-68-6

SMILES

NC1=CC=CC=C1C(O)=N

InChI Identifier

InChI=1S/C7H8N2O/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H2,9,10)

InChI Key

PXBFMLJZNCDSMP-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as anthranilamides. These are aromatic compound containing a benzene carboxamide moiety that carries an amine group at the 2-position of the benzene ring.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Benzene and substituted derivatives

Sub Class

Benzoic acids and derivatives

Direct Parent

Anthranilamides

Alternative Parents

Substituents

Anthranilamide
Aminobenzamide
Aminobenzoic acid or derivatives
2-aminobenzamide
Benzoyl
Aniline or substituted anilines
Vinylogous amide
Amino acid or derivatives
Carboxamide group
Primary carboxylic acid amide
Carboxylic acid derivative
Amine
Organooxygen compound
Organonitrogen compound
Primary amine
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Organic oxygen compound
Organic nitrogen compound
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0033947)
Cytoplasm (HMDB: HMDB0033947)

Source

Exogenous

Exogenous (HMDB: HMDB0033947)

Food

Food (HMDB: HMDB0033947)

Process

Not Available

Role

Biological role

Nutrient (HMDB: HMDB0033947)

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	109 - 111.5 °C	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	2138 mg/L @ 25 °C (est)	The Good Scents Company Information System
LogP	0.35	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	7.6 g/L	ALOGPS
logP	-0.3	ALOGPS
logP	0.64	ChemAxon
logS	-1.9	ALOGPS
pKa (Strongest Acidic)	14.96	ChemAxon
pKa (Strongest Basic)	2.82	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	69.11 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	39.84 m³·mol⁻¹	ChemAxon
Polarizability	13.7 Å³	ChemAxon
Number of Rings	1	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
DarkChem	[M+H]+	128.28	31661259
DarkChem	[M-H]-	122.098	31661259
DeepCCS	[M+H]+	130.057	30932474
DeepCCS	[M-H]-	127.5	30932474
DeepCCS	[M-2H]-	163.571	30932474
DeepCCS	[M+Na]+	138.496	30932474
AllCCS	[M+H]+	129.6	32859911
AllCCS	[M+H-H2O]+	125.0	32859911
AllCCS	[M+NH4]+	134.0	32859911
AllCCS	[M+Na]+	135.2	32859911
AllCCS	[M-H]-	125.4	32859911
AllCCS	[M+Na-2H]-	127.1	32859911
AllCCS	[M+HCOO]-	129.0	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
2-Aminobenzamide	NC(=O)C1=CC=CC=C1N	2821.1	Standard polar	33892256
2-Aminobenzamide	NC(=O)C1=CC=CC=C1N	1464.2	Standard non polar	33892256
2-Aminobenzamide	NC(=O)C1=CC=CC=C1N	1577.5	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
2-Aminobenzamide,1TMS,isomer #1	C[Si](C)(C)NC(=O)C1=CC=CC=C1N	1610.3	Semi standard non polar	33892256
2-Aminobenzamide,1TMS,isomer #1	C[Si](C)(C)NC(=O)C1=CC=CC=C1N	1676.0	Standard non polar	33892256
2-Aminobenzamide,1TMS,isomer #2	C[Si](C)(C)NC1=CC=CC=C1C(N)=O	1662.0	Semi standard non polar	33892256
2-Aminobenzamide,1TMS,isomer #2	C[Si](C)(C)NC1=CC=CC=C1C(N)=O	1622.0	Standard non polar	33892256
2-Aminobenzamide,2TMS,isomer #1	C[Si](C)(C)NC(=O)C1=CC=CC=C1N[Si](C)(C)C	1670.6	Semi standard non polar	33892256
2-Aminobenzamide,2TMS,isomer #1	C[Si](C)(C)NC(=O)C1=CC=CC=C1N[Si](C)(C)C	1825.1	Standard non polar	33892256
2-Aminobenzamide,2TMS,isomer #2	C[Si](C)(C)N(C(=O)C1=CC=CC=C1N)[Si](C)(C)C	1705.0	Semi standard non polar	33892256
2-Aminobenzamide,2TMS,isomer #2	C[Si](C)(C)N(C(=O)C1=CC=CC=C1N)[Si](C)(C)C	1735.5	Standard non polar	33892256
2-Aminobenzamide,2TMS,isomer #3	C[Si](C)(C)N(C1=CC=CC=C1C(N)=O)[Si](C)(C)C	1707.9	Semi standard non polar	33892256
2-Aminobenzamide,2TMS,isomer #3	C[Si](C)(C)N(C1=CC=CC=C1C(N)=O)[Si](C)(C)C	1779.4	Standard non polar	33892256
2-Aminobenzamide,3TMS,isomer #1	C[Si](C)(C)NC1=CC=CC=C1C(=O)N([Si](C)(C)C)[Si](C)(C)C	1799.2	Semi standard non polar	33892256
2-Aminobenzamide,3TMS,isomer #1	C[Si](C)(C)NC1=CC=CC=C1C(=O)N([Si](C)(C)C)[Si](C)(C)C	1818.2	Standard non polar	33892256
2-Aminobenzamide,3TMS,isomer #2	C[Si](C)(C)NC(=O)C1=CC=CC=C1N([Si](C)(C)C)[Si](C)(C)C	1729.5	Semi standard non polar	33892256
2-Aminobenzamide,3TMS,isomer #2	C[Si](C)(C)NC(=O)C1=CC=CC=C1N([Si](C)(C)C)[Si](C)(C)C	1881.1	Standard non polar	33892256
2-Aminobenzamide,4TMS,isomer #1	C[Si](C)(C)N(C(=O)C1=CC=CC=C1N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	1791.4	Semi standard non polar	33892256
2-Aminobenzamide,4TMS,isomer #1	C[Si](C)(C)N(C(=O)C1=CC=CC=C1N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	1942.3	Standard non polar	33892256
2-Aminobenzamide,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=O)C1=CC=CC=C1N	1884.0	Semi standard non polar	33892256
2-Aminobenzamide,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=O)C1=CC=CC=C1N	1841.1	Standard non polar	33892256
2-Aminobenzamide,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=CC=CC=C1C(N)=O	1907.9	Semi standard non polar	33892256
2-Aminobenzamide,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=CC=CC=C1C(N)=O	1833.0	Standard non polar	33892256
2-Aminobenzamide,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=O)C1=CC=CC=C1N[Si](C)(C)C(C)(C)C	2118.8	Semi standard non polar	33892256
2-Aminobenzamide,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=O)C1=CC=CC=C1N[Si](C)(C)C(C)(C)C	2206.0	Standard non polar	33892256
2-Aminobenzamide,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N(C(=O)C1=CC=CC=C1N)[Si](C)(C)C(C)(C)C	2159.2	Semi standard non polar	33892256
2-Aminobenzamide,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N(C(=O)C1=CC=CC=C1N)[Si](C)(C)C(C)(C)C	2111.6	Standard non polar	33892256
2-Aminobenzamide,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N(C1=CC=CC=C1C(N)=O)[Si](C)(C)C(C)(C)C	2156.5	Semi standard non polar	33892256
2-Aminobenzamide,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N(C1=CC=CC=C1C(N)=O)[Si](C)(C)C(C)(C)C	2159.7	Standard non polar	33892256
2-Aminobenzamide,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC1=CC=CC=C1C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2425.4	Semi standard non polar	33892256
2-Aminobenzamide,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC1=CC=CC=C1C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2406.2	Standard non polar	33892256
2-Aminobenzamide,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=O)C1=CC=CC=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2378.1	Semi standard non polar	33892256
2-Aminobenzamide,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=O)C1=CC=CC=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2437.4	Standard non polar	33892256
2-Aminobenzamide,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N(C(=O)C1=CC=CC=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2625.0	Semi standard non polar	33892256
2-Aminobenzamide,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N(C(=O)C1=CC=CC=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2675.5	Standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - 2-Aminobenzamide GC-MS (Non-derivatized) - 70eV, Positive	splash10-00ri-6900000000-7fd460f6fbd50a17a79a	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 2-Aminobenzamide GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 2-Aminobenzamide 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
Experimental LC-MS/MS	LC-MS/MS Spectrum - 2-Aminobenzamide QqQ 8V, positive-QTOF	splash10-00di-0900000000-f318efb60aadad2062d0	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 2-Aminobenzamide QqQ 9V, positive-QTOF	splash10-00di-1900000000-58a5c074150061993d56	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 2-Aminobenzamide QqQ 10V, positive-QTOF	splash10-00di-2900000000-f26b10141fe6fcf6d479	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 2-Aminobenzamide QqQ 11V, positive-QTOF	splash10-00di-4900000000-708861f3d339fd06ee47	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 2-Aminobenzamide QqQ 12V, positive-QTOF	splash10-00dl-8900000000-9eab0fafa0578c0e4276	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 2-Aminobenzamide QqQ 13V, positive-QTOF	splash10-006x-9500000000-9e10cdb12801faf6d450	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 2-Aminobenzamide QqQ 14V, positive-QTOF	splash10-0006-9300000000-ed5f59e7f7af342812c4	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 2-Aminobenzamide QqQ 15V, positive-QTOF	splash10-0006-9200000000-fdaabfff8a33ae1e8ef4	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 2-Aminobenzamide QqQ 16V, positive-QTOF	splash10-0006-9100000000-7ffbd75b2404aeadfa40	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 2-Aminobenzamide QqQ 17V, positive-QTOF	splash10-01ox-9100000000-5a48a6d92c9656019a73	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 2-Aminobenzamide QqQ 18V, positive-QTOF	splash10-01ox-9000000000-0df19171543832ba220e	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 2-Aminobenzamide QqQ 19V, positive-QTOF	splash10-03dl-9000000000-0d8263e9e91e8dea149b	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 2-Aminobenzamide QqQ 20V, positive-QTOF	splash10-03dl-9000000000-d3d4648b285f5123f1e9	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 2-Aminobenzamide QqQ 2V, positive-QTOF	splash10-000i-0900000000-4b5ca613a9de8a704c34	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 2-Aminobenzamide QqQ 3V, positive-QTOF	splash10-000i-0900000000-07b3679f43301bc9d680	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 2-Aminobenzamide QqQ 4V, positive-QTOF	splash10-000i-0900000000-969ab3101013136277f4	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 2-Aminobenzamide QqQ 5V, positive-QTOF	splash10-000i-0900000000-92ff5221f65f94bff4b0	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 2-Aminobenzamide QqQ 6V, positive-QTOF	splash10-00dr-0900000000-c4a56db5d1a08b6e3cb1	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 2-Aminobenzamide QqQ 7V, positive-QTOF	splash10-00di-0900000000-ee069ffbb280028df479	2020-07-22	HMDB team, MONA	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-Aminobenzamide 10V, Positive-QTOF	splash10-0079-0900000000-432d94f266b96ff61f09	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-Aminobenzamide 20V, Positive-QTOF	splash10-00di-3900000000-72828912accbdb31c859	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-Aminobenzamide 40V, Positive-QTOF	splash10-0umi-9300000000-f8951f5a2c760727b229	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-Aminobenzamide 10V, Negative-QTOF	splash10-000i-2900000000-5000aed13c0cb97f9170	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-Aminobenzamide 20V, Negative-QTOF	splash10-000f-9600000000-fbb84ee0917c1819bff4	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-Aminobenzamide 40V, Negative-QTOF	splash10-0006-9000000000-3f325f8b15df0f6406fa	2015-04-25	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum

IR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M-H]-)	2023-02-04	FELIX lab	View Spectrum
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+)	2023-02-04	FELIX lab	View Spectrum
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+)	2023-02-04	FELIX lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

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

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

6942

PDB ID

2AE

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

rw1220261

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

(). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .

Showing metabocard for 2-Aminobenzamide (HMDB0033947)

MOL for HMDB0033947 (2-Aminobenzamide)

3D MOL for HMDB0033947 (2-Aminobenzamide)

3D SDF for HMDB0033947 (2-Aminobenzamide)

3D-SDF for HMDB0033947 (2-Aminobenzamide)

PDB for HMDB0033947 (2-Aminobenzamide)

3D PDB for HMDB0033947 (2-Aminobenzamide)

SMILES for HMDB0033947 (2-Aminobenzamide)

INCHI for HMDB0033947 (2-Aminobenzamide)

Structure for HMDB0033947 (2-Aminobenzamide)

3D Structure for HMDB0033947 (2-Aminobenzamide)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

IR Spectra