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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-13 11:41:51 UTC

Update Date

2023-02-21 17:28:59 UTC

HMDB ID

HMDB0041835

Secondary Accession Numbers

HMDB41835

Metabolite Identification

Common Name

Benzidine

Description

Benzidine is prepared in a two step process from nitrobenzene. First, the nitrobenzene is converted to 1,2-diphenylhydrazine, usually using iron powder as the reducing agent. Treatment of this hydrazine with mineral acids induces a rearrangement reaction to 4,4'-benzidine. Smaller amounts of other isomers are also formed. The benzidine rearrangement, which proceeds intramolecularly, is a classic mechanistic puzzle in organic chemistry. Benzidine, the trivial name for 4,4'-diaminobiphenyl, is the solid organic compound with the formula (C6H4NH2)2. This aromatic amine is a component of a test for cyanide and also in the production of dyes. Benzidine has been linked to bladder and pancreatic cancer. Since August 2010 benzidine dyes are included in the EPA's List of Chemicals of Concern.

Structure

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

HEADER    PROTEIN                                 05-SEP-14   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   05-SEP-14         0                                  
HETATM    1  C   UNK     0      -1.334   2.310   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -4.001   2.310   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -4.001  -0.770   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.334   3.850   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -4.001   3.850   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -4.001  -2.310   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -2.667   1.540   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -2.667  -0.000   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -2.667   4.620   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   13  N   UNK     0      -2.667   6.160   0.000  0.00  0.00           N+0
HETATM   14  N   UNK     0      -2.667  -4.620   0.000  0.00  0.00           N+0
CONECT    1    5    9                                                       
CONECT    2    6    9                                                       
CONECT    3    7   10                                                       
CONECT    4    8   10                                                       
CONECT    5    1   11                                                       
CONECT    6    2   11                                                       
CONECT    7    3   12                                                       
CONECT    8    4   12                                                       
CONECT    9    1    2   10                                                  
CONECT   10    3    4    9                                                  
CONECT   11    5    6   13                                                  
CONECT   12    7    8   14                                                  
CONECT   13   11                                                            
CONECT   14   12                                                            
MASTER        0    0    0    0    0    0    0    0   14    0   30    0
END

COMPND    HMDB0041835
HETATM    1  N1  UNL     1       4.943   0.138  -0.155  1.00  0.00           N  
HETATM    2  C1  UNL     1       3.518   0.071  -0.128  1.00  0.00           C  
HETATM    3  C2  UNL     1       2.817   1.084   0.474  1.00  0.00           C  
HETATM    4  C3  UNL     1       1.423   1.035   0.509  1.00  0.00           C  
HETATM    5  C4  UNL     1       0.727  -0.006  -0.046  1.00  0.00           C  
HETATM    6  C5  UNL     1      -0.713  -0.034   0.006  1.00  0.00           C  
HETATM    7  C6  UNL     1      -1.486  -0.616  -0.979  1.00  0.00           C  
HETATM    8  C7  UNL     1      -2.862  -0.647  -0.933  1.00  0.00           C  
HETATM    9  C8  UNL     1      -3.531  -0.072   0.141  1.00  0.00           C  
HETATM   10  N2  UNL     1      -4.963  -0.101   0.192  1.00  0.00           N  
HETATM   11  C9  UNL     1      -2.781   0.516   1.137  1.00  0.00           C  
HETATM   12  C10 UNL     1      -1.403   0.535   1.071  1.00  0.00           C  
HETATM   13  C11 UNL     1       1.445  -1.006  -0.642  1.00  0.00           C  
HETATM   14  C12 UNL     1       2.830  -0.979  -0.689  1.00  0.00           C  
HETATM   15  H1  UNL     1       5.426  -0.098  -1.038  1.00  0.00           H  
HETATM   16  H2  UNL     1       5.440   0.420   0.710  1.00  0.00           H  
HETATM   17  H3  UNL     1       3.362   1.926   0.925  1.00  0.00           H  
HETATM   18  H4  UNL     1       0.937   1.868   1.000  1.00  0.00           H  
HETATM   19  H5  UNL     1      -0.979  -1.065  -1.817  1.00  0.00           H  
HETATM   20  H6  UNL     1      -3.450  -1.114  -1.726  1.00  0.00           H  
HETATM   21  H7  UNL     1      -5.537   0.778   0.047  1.00  0.00           H  
HETATM   22  H8  UNL     1      -5.504  -0.974   0.373  1.00  0.00           H  
HETATM   23  H9  UNL     1      -3.259   0.975   1.990  1.00  0.00           H  
HETATM   24  H10 UNL     1      -0.776   0.991   1.837  1.00  0.00           H  
HETATM   25  H11 UNL     1       0.954  -1.863  -1.104  1.00  0.00           H  
HETATM   26  H12 UNL     1       3.420  -1.761  -1.155  1.00  0.00           H  
CONECT    1    2   15   16
CONECT    2    3    3   14
CONECT    3    4   17
CONECT    4    5    5   18
CONECT    5    6   13
CONECT    6    7    7   12
CONECT    7    8   19
CONECT    8    9    9   20
CONECT    9   10   11
CONECT   10   21   22
CONECT   11   12   12   23
CONECT   12   24
CONECT   13   14   14   25
CONECT   14   26
END

View in JSmol View Stereo Labels

Synonyms

Value	Source
(1,1'-Biphenyl)-4,4'-diamine	ChEBI
4,4'-Bianiline	ChEBI
4,4'-Biphenyldiamine	ChEBI
4,4'-Biphenylenediamine	ChEBI
4,4'-Diamino-1,1'-biphenyl	ChEBI
4,4'-Diaminobiphenyl	ChEBI
4,4'-Diaminodiphenyl	ChEBI
4,4'-Diphenylenediamine	ChEBI
C.I. azoic diazo component 112	ChEBI
p,P'-bianiline	ChEBI
p,P'-diaminodiphenyl	ChEBI
p-Diaminodiphenyl	ChEBI
4'-Amino[1,1'-biphenyl]-4-ylamine (acd/name 4.0)	HMDB
4, 4'-Biphenylenediamine	HMDB
Biphenyl -4,4'-ylenediamine	HMDB
Fast corinth base b	HMDB
p,P'-diaminobiphenyl	HMDB
p,P'-dianiline	HMDB
p,p-Bianiline	HMDB
Rcra waste number u021	HMDB
[1,1'-Biphenyl]-4,4'-diamine	HMDB
[1,1'-Biphenyl]-4,4'-diamine (acd/name 4.0)	HMDB
{[1,} 1'-biphenyl]-4,4'-diamine	HMDB
Benzidine hydrochloride	HMDB
Benzidine acetate	HMDB
Benzidine monosulfate	HMDB
Benzidine dihydrochloride	HMDB

Chemical Formula

C₁₂H₁₂N₂

Average Molecular Weight

184.2371

Monoisotopic Molecular Weight

184.100048394

IUPAC Name

4-(4-aminophenyl)aniline

Traditional Name

benzidine

CAS Registry Number

92-87-5

SMILES

NC1=CC=C(C=C1)C1=CC=C(N)C=C1

InChI Identifier

InChI=1S/C12H12N2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H,13-14H2

InChI Key

HFACYLZERDEVSX-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as benzidines. These are organic compounds containing the benzidine skeleton, made up of a biphenyl ring system substituted at the 4- and 4'-positions with a unsubstituted amine group.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Benzene and substituted derivatives

Sub Class

Biphenyls and derivatives

Direct Parent

Benzidines

Alternative Parents

Substituents

Benzidine
Aniline or substituted anilines
Organic nitrogen compound
Organopnictogen compound
Hydrocarbon derivative
Primary amine
Organonitrogen compound
Amine
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

biphenyls (CHEBI:80495 )

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Cytoplasm (HMDB: HMDB0041835)
Extracellular (HMDB: HMDB0041835)

Process

Not Available

Role

Not Available

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	120 °C	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	0.32 mg/mL at 25 °C	Not Available
LogP	1.34	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	0.4 g/L	ALOGPS
logP	1.59	ALOGPS
logP	1.96	ChemAxon
logS	-2.7	ALOGPS
pKa (Strongest Basic)	4.73	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	52.04 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	60.6 m³·mol⁻¹	ChemAxon
Polarizability	21.05 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	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]+	142.005	31661259
DarkChem	[M-H]-	142.698	31661259
DeepCCS	[M+H]+	147.344	30932474
DeepCCS	[M-H]-	144.948	30932474
DeepCCS	[M-2H]-	178.791	30932474
DeepCCS	[M+Na]+	153.375	30932474
AllCCS	[M+H]+	142.0	32859911
AllCCS	[M+H-H2O]+	137.6	32859911
AllCCS	[M+NH4]+	146.2	32859911
AllCCS	[M+Na]+	147.4	32859911
AllCCS	[M-H]-	144.0	32859911
AllCCS	[M+Na-2H]-	144.3	32859911
AllCCS	[M+HCOO]-	144.6	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Benzidine	NC1=CC=C(C=C1)C1=CC=C(N)C=C1	3170.0	Standard polar	33892256
Benzidine	NC1=CC=C(C=C1)C1=CC=C(N)C=C1	1992.8	Standard non polar	33892256
Benzidine	NC1=CC=C(C=C1)C1=CC=C(N)C=C1	2126.2	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Benzidine,1TMS,isomer #1	C[Si](C)(C)NC1=CC=C(C2=CC=C(N)C=C2)C=C1	2333.3	Semi standard non polar	33892256
Benzidine,1TMS,isomer #1	C[Si](C)(C)NC1=CC=C(C2=CC=C(N)C=C2)C=C1	2403.4	Standard non polar	33892256
Benzidine,2TMS,isomer #1	C[Si](C)(C)NC1=CC=C(C2=CC=C(N[Si](C)(C)C)C=C2)C=C1	2543.8	Semi standard non polar	33892256
Benzidine,2TMS,isomer #1	C[Si](C)(C)NC1=CC=C(C2=CC=C(N[Si](C)(C)C)C=C2)C=C1	2652.7	Standard non polar	33892256
Benzidine,2TMS,isomer #2	C[Si](C)(C)N(C1=CC=C(C2=CC=C(N)C=C2)C=C1)[Si](C)(C)C	2419.0	Semi standard non polar	33892256
Benzidine,2TMS,isomer #2	C[Si](C)(C)N(C1=CC=C(C2=CC=C(N)C=C2)C=C1)[Si](C)(C)C	2378.0	Standard non polar	33892256
Benzidine,3TMS,isomer #1	C[Si](C)(C)NC1=CC=C(C2=CC=C(N([Si](C)(C)C)[Si](C)(C)C)C=C2)C=C1	2510.8	Semi standard non polar	33892256
Benzidine,3TMS,isomer #1	C[Si](C)(C)NC1=CC=C(C2=CC=C(N([Si](C)(C)C)[Si](C)(C)C)C=C2)C=C1	2600.6	Standard non polar	33892256
Benzidine,4TMS,isomer #1	C[Si](C)(C)N(C1=CC=C(C2=CC=C(N([Si](C)(C)C)[Si](C)(C)C)C=C2)C=C1)[Si](C)(C)C	2555.0	Semi standard non polar	33892256
Benzidine,4TMS,isomer #1	C[Si](C)(C)N(C1=CC=C(C2=CC=C(N([Si](C)(C)C)[Si](C)(C)C)C=C2)C=C1)[Si](C)(C)C	2620.2	Standard non polar	33892256
Benzidine,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC1=CC=C(C2=CC=C(N)C=C2)C=C1	2571.0	Semi standard non polar	33892256
Benzidine,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC1=CC=C(C2=CC=C(N)C=C2)C=C1	2589.2	Standard non polar	33892256
Benzidine,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC1=CC=C(C2=CC=C(N[Si](C)(C)C(C)(C)C)C=C2)C=C1	3015.4	Semi standard non polar	33892256
Benzidine,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC1=CC=C(C2=CC=C(N[Si](C)(C)C(C)(C)C)C=C2)C=C1	3054.2	Standard non polar	33892256
Benzidine,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N(C1=CC=C(C2=CC=C(N)C=C2)C=C1)[Si](C)(C)C(C)(C)C	2871.2	Semi standard non polar	33892256
Benzidine,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N(C1=CC=C(C2=CC=C(N)C=C2)C=C1)[Si](C)(C)C(C)(C)C	2819.8	Standard non polar	33892256
Benzidine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC1=CC=C(C2=CC=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C2)C=C1	3236.8	Semi standard non polar	33892256
Benzidine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC1=CC=C(C2=CC=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C2)C=C1	3258.7	Standard non polar	33892256
Benzidine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N(C1=CC=C(C2=CC=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C2)C=C1)[Si](C)(C)C(C)(C)C	3451.9	Semi standard non polar	33892256
Benzidine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N(C1=CC=C(C2=CC=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C2)C=C1)[Si](C)(C)C(C)(C)C	3497.2	Standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental GC-MS	GC-MS Spectrum - Benzidine EI-B (Non-derivatized)	splash10-001i-1900000000-46465bd7171400dfc550	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Benzidine EI-B (Non-derivatized)	splash10-001i-1900000000-46465bd7171400dfc550	2018-05-18	HMDB team, MONA, MassBank	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Benzidine GC-MS (Non-derivatized) - 70eV, Positive	splash10-001i-1900000000-da909bc8739471b977a5	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Benzidine GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
MS	Mass Spectrum (Electron Ionization)	splash10-001i-2900000000-0c34c7cea9097e35e7e1	2014-09-20	Not Available	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental LC-MS/MS	LC-MS/MS Spectrum - Benzidine ESI-ITFT , positive-QTOF	splash10-000i-0900000000-36d2368b345aadafe472	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Benzidine ESI-ITFT , positive-QTOF	splash10-014i-0900000000-c5c1dcbf033fe4c60c26	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Benzidine ESI-ITFT , positive-QTOF	splash10-014i-0900000000-d5e0ce902c65a7d945a1	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Benzidine ESI-ITFT , positive-QTOF	splash10-014i-0900000000-527aa9bf80b633185478	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Benzidine ESI-ITFT , positive-QTOF	splash10-014i-0900000000-d455d086a3a2f8252f64	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Benzidine ESI-ITFT , positive-QTOF	splash10-000i-0900000000-8a4d7fb696a251cf65f2	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Benzidine ESI-ITFT , positive-QTOF	splash10-000i-0900000000-9894faa005f0ae52dc53	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Benzidine ESI-ITFT , positive-QTOF	splash10-014r-0900000000-0b8ab8dbf459dd778773	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Benzidine ESI-ITFT , positive-QTOF	splash10-014i-0900000000-497ea7121bf277833bb6	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Benzidine ESI-ITFT , positive-QTOF	splash10-014i-0900000000-6af8bfce4a24520cec00	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Benzidine ESI-ITFT , positive-QTOF	splash10-014i-0900000000-91749c0c5e4ef529093e	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Benzidine ESI-ITFT , positive-QTOF	splash10-014i-0900000000-49669661b9cd83218acb	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Benzidine ESI-ITFT , positive-QTOF	splash10-014i-0900000000-a61957b37aba01bd4ee0	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Benzidine ESI-ITFT , positive-QTOF	splash10-00kr-1900000000-c4a27064ec37d84f0355	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Benzidine APCI-ITFT , positive-QTOF	splash10-014i-0900000000-5f242ea7ebce9e040adf	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Benzidine APCI-ITFT , positive-QTOF	splash10-014i-0900000000-6ee5a8d18cf5b5e520e3	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Benzidine APCI-ITFT , positive-QTOF	splash10-014i-0900000000-bfa10df85ed8a268fafc	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Benzidine APCI-ITFT , positive-QTOF	splash10-014i-0900000000-fccc4a1798517c633d70	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Benzidine APCI-ITFT , positive-QTOF	splash10-014i-0900000000-df132eef993f855e82ed	2017-09-14	HMDB team, MONA	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Benzidine 10V, Positive-QTOF	splash10-000i-0900000000-7e5627a8d5f62d9aa7e0	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Benzidine 20V, Positive-QTOF	splash10-000i-0900000000-39f67531ed6e9de51ade	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Benzidine 40V, Positive-QTOF	splash10-056r-1900000000-9a354370a58dd3accdf9	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Benzidine 10V, Negative-QTOF	splash10-001i-0900000000-9d1762ff8a90d7425837	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Benzidine 20V, Negative-QTOF	splash10-001i-0900000000-9d1762ff8a90d7425837	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Benzidine 40V, Negative-QTOF	splash10-001i-2900000000-caeb9b49b279ff5b605f	2016-08-03	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

Not Available

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

Not Available

KNApSAcK ID

Not Available

Chemspider ID

6844

KEGG Compound ID

C16444

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Benzidine

METLIN ID

Not Available

PubChem Compound

7111

PDB ID

Not Available

ChEBI ID

80495

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

Arlt M, Scheffler A, Suske I, Eschner M, Saragi TP, Salbeck J, Fuhrmann-Lieker T: Bipolar redox behaviour, field-effect mobility and transistor switching of the low-molecular azo glass AZOPD. Phys Chem Chem Phys. 2010 Nov 7;12(41):13828-34. doi: 10.1039/c0cp00643b. Epub 2010 Sep 20. [PubMed:20852800 ]
Lardo MM, Diaz NB, Artaza JR, Carbia CD, Nazer R, Valdez R: [Vitamin E as protective agent against hemolysis in leprosy patients under dapsone treatment]. Medicina (B Aires). 1997;57(2):150-4. [PubMed:9532824 ]

Showing metabocard for Benzidine (HMDB0041835)

MOL for HMDB0041835 (Benzidine)

3D MOL for HMDB0041835 (Benzidine)

3D SDF for HMDB0041835 (Benzidine)

3D-SDF for HMDB0041835 (Benzidine)

PDB for HMDB0041835 (Benzidine)

3D PDB for HMDB0041835 (Benzidine)

SMILES for HMDB0041835 (Benzidine)

INCHI for HMDB0041835 (Benzidine)

Structure for HMDB0041835 (Benzidine)

3D Structure for HMDB0041835 (Benzidine)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

IR Spectra