chempirical

3,3′-Dimethylbenzidine dihydrochloride

C14H18Cl2N2CAS 612-82-8285.21 g/mol

Open in Covalent MOL file
NH2H2NHClHCl
Primary amine

Properties

Molecular formula
C14H18Cl2N2
Molar mass
285.21 g/mol
Exact mass
284.0847 Da
logP
3.98Crippen estimate
Polar surface area
52.0 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Identifiers

CAS number
612-82-8
SMILES
Cc1cc(-c2ccc(N)c(C)c2)ccc1N.Cl.Cl
InChIKey
LUKPNZHXJRJBAN-UHFFFAOYSA-N
InChI
InChI=1S/C14H16N2.2ClH/c1-9-7-11(3-5-13(9)15)12-4-6-14(16)10(2)8-12;;/h3-8H,15-16H2,1-2H3;2*1H

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Names and synonyms

4 names
  • [1,1′-Biphenyl]-4,4′-diamine, 3,3′-dimethyl-, hydrochloride (1:2)
  • Benzidine, 3,3′-dimethyl-, dihydrochloride
  • [1,1′-Biphenyl]-4,4′-diamine, 3,3′-dimethyl-, dihydrochloride
  • o-Tolidine dihydrochloride

Work with 3,3′-Dimethylbenzidine dihydrochloride

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

Tolidine119-93-786 % similar 2,4-Dimethylaniline hydrochloride21436-96-467 % similar 2-Methylbenzene-1,4-diamine dihydrochloride615-45-267 % similar 4-Chloro-2-methylaniline hydrochloride3165-93-364 % similar 3,3′-Diaminobenzidine tetrahydrochloride7411-49-660 % similar O-Toluidinium chloride636-21-556 % similar 2,4-Xylidine95-68-156 % similar 2,5-Diaminotoluene95-70-556 % similar

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

Elsewhere

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