chempirical

3,3'-Diaminobenzidine tetrahydrochloride dihydrate

C12H22Cl4N4O2CAS 167684-17-5396.13 g/mol

Open in Covalent MOL file
H2NH2NNH2NH2H2OH2OHClHClHClHCl
Primary amine

Properties

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

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

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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

Similar compounds

[1,1′-Biphenyl]-3,3′,4,4′-tetramine hydrochloride hydrate (1:4:?)868272-85-9100 % similar 3,3′-Diaminobenzidine tetrahydrochloride7411-49-686 % similar 3,3'-Diaminobenzidine91-95-271 % similar 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

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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