N-Methyl-p-phenylenediamine dihydrochloride

C₇H₁₂Cl₂N₂CAS 5395-70-0195.09 g/mol

Open in Covalent MOL file

Primary amine Secondary amine

Properties

Molecular formula: C₇H₁₂Cl₂N₂
Molar mass: 195.09 g/mol
Exact mass: 194.0378 Da
logP: 2.15Crippen estimate
Polar surface area: 38.0 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Identifiers

CAS number

5395-70-0

SMILES

CNc1ccc(N)cc1.Cl.Cl

InChIKey

BXCWUHLEFQDLCY-UHFFFAOYSA-N

InChI

InChI=1S/C7H10N2.2ClH/c1-9-7-4-2-6(8)3-5-7;;/h2-5,9H,8H2,1H3;2*1H

Weigh it out

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

Names and synonyms

3 names

1,4-Benzenediamine, N1-methyl-, hydrochloride (1:2)
1,4-Benzenediamine, N-methyl-, dihydrochloride
p-Phenylenediamine, N-methyl-, dihydrochloride

Work with N-Methyl-p-phenylenediamine 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

N-Methyl-P-phenylenediamine623-09-686 % similar 1,4-Diaminobenzene dihydrochloride624-18-057 % similar Variamine blue3566-44-750 % similar [1,1′-Biphenyl]-4,4′-diamine hydrochloride (1:2)531-85-150 % similar 4-Methylaniline hydrochloride540-23-850 % similar N-Methyl-P-toluidine623-08-546 % similar 4-Methoxyaniline hydrochloride20265-97-845 % similar p-Amino-N,N-dimethylaniline monohydrochloride2052-46-245 % similar

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

Same formula

Benzylhydrazine dihydrochloride20570-96-1 N-Methyl-o-phenylenediamine dihydrochloride25148-68-9 2-Methylbenzene-1,4-diamine dihydrochloride615-45-2

Elsewhere

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