3,3'-Diaminobenzidine tetrahydrochloride dihydrate

C₁₂H₂₂Cl₄N₄O₂CAS 167684-17-5396.13 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₂₂Cl₄N₄O₂
Molar mass: 396.13 g/mol
Exact mass: 394.0497 Da
logP: 1.72Crippen estimate
Polar surface area: 167.1 Å²
H-bond donors / acceptors: 4 / 4
Rotatable bonds: 1

Hazards

Danger

H341 Suspected of causing genetic defects100% of notifiers
H350 May cause cancer100% of notifiers

Aggregated from 38 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P280, P318, P405, P501

Identifiers

CAS number

167684-17-5

SMILES

C1=CC(=C(C=C1C2=CC(=C(C=C2)N)N)N)N.O.O.Cl.Cl.Cl.Cl

InChIKey

BXIYIGBKSGVJOS-UHFFFAOYSA-N

InChI

InChI=1S/C12H14N4.4ClH.2H2O/c13-9-3-1-7(5-11(9)15)8-2-4-10(14)12(16)6-8;;;;;;/h1-6H,13-16H2;4*1H;2*1H2

Weigh it out

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Names and synonyms

1 names

(1,1'-Biphenyl)-3,3',4,4'-tetramine tetrahydrochloride dihydrate

Work with 3,3'-Diaminobenzidine tetrahydrochloride dihydrate

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 tetrahydrochloride7411-49-6Anhydrous [1,1′-Biphenyl]-3,3′,4,4′-tetramine hydrochloride hydrate (1:4:?)868272-85-9Lower hydrate 3,3′-Diaminobenzidine91-95-2Free base

Similar compounds

1,2,4-Triaminobenzene dihydrochloride615-47-454 % similar 3,3′-Dimethylbenzidine dihydrochloride612-82-854 % similar 3,3′-Dichlorobenzidine dihydrochloride612-83-954 % similar 3,3′-Dimethoxybenzidine dihydrochloride20325-40-050 % similar 1,2,4,5-Tetraaminobenzene tetrahydrochloride4506-66-550 % similar 4-Methoxybenzene-1,2-diamine dihydrochloride59548-39-947 % similar Tolidine119-93-743 % similar 3,3′-Dihydroxy-4,4′-diaminobiphenyl2373-98-043 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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