3,3′-Diaminobenzidine

C12H14N4CAS 91-95-2214.27 g/mol

Open in Covalent MOL file
H2NNH2NH2H2N
Primary amine

Properties

Molecular formula
C12H14N4
Molar mass
214.27 g/mol
Exact mass
214.1218 Da
Melting point
178 °C
Flash point
200 °C
logP
1.68Crippen estimate
Polar surface area
104.1 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
1

Hazards

Danger
Health Hazard (GHS08)

Harmonised EU classification (CLP Annex VI, index 612-239-00-3), via PubChem.

Precautionary statements

P203, P280, P318, P405, P501

Identifiers

CAS number
91-95-2
SMILES
Nc1ccc(-c2ccc(N)c(N)c2)cc1N
InChIKey
HSTOKWSFWGCZMH-UHFFFAOYSA-N
InChI
InChI=1S/C12H14N4/c13-9-3-1-7(5-11(9)15)8-2-4-10(14)12(16)6-8/h1-6H,13-16H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

10 names
  • 3,3'-Diaminobenzidine
  • [1,1′-Biphenyl]-3,3′,4,4′-tetramine
  • 3,3′,4,4′-Biphenyltetramine
  • 3,3′,4,4′-Tetraaminodiphenyl
  • 3,3′,4,4′-Tetraaminobiphenyl
  • DAB
  • NSC 76152
  • Biphenyl-3,3′,4,4′-tetraamine
  • Betazoid DAB
  • 3,4,3′,4′-Tetraaminobiphenyl

Work with 3,3′-Diaminobenzidine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

3,3′-Diaminobenzidine tetrahydrochloride7411-49-6Salt 3,3'-Diaminobenzidine tetrahydrochloride dihydrate167684-17-5Salt [1,1′-Biphenyl]-3,3′,4,4′-tetramine hydrochloride hydrate (1:4:?)868272-85-9Salt

Similar compounds

Tolidine119-93-755 % similar 3,3′-Dihydroxy-4,4′-diaminobiphenyl2373-98-055 % similar 3,3′-Dichlorobenzidine91-94-155 % similar O-Dianisidine119-90-450 % similar 4-Bromobenzene-1,2-diamine1575-37-750 % similar 4-Iodobenzene-1,2-diamine21304-38-150 % similar 4-Fluoro-1,2-phenylenediamine367-31-750 % similar 3,4-Diaminotoluene496-72-050 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia