chempirical

2-Chloro-5-methyl-1,4-benzenediamine

C7H9ClN2CAS 5307-03-9156.61 g/mol

Open in Covalent MOL file
NH2ClH2N
Aryl halidePrimary amine

Properties

Molecular formula
C7H9ClN2
Molar mass
156.61 g/mol
Exact mass
156.0454 Da
Melting point
145–146 °C
logP
1.81Crippen estimate
Polar surface area
52.0 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0

Identifiers

CAS number
5307-03-9
SMILES
Cc1cc(N)c(Cl)cc1N
InChIKey
CPCPKQUNFFHAIZ-UHFFFAOYSA-N
InChI
InChI=1S/C7H9ClN2/c1-4-2-7(10)5(8)3-6(4)9/h2-3H,9-10H2,1H3

Weigh it out

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

Names and synonyms

8 names
  • 1,4-Benzenediamine, 2-chloro-5-methyl-
  • Toluene-2,5-diamine, 4-chloro-
  • 2,5-Diamino-4-chlorotoluene
  • 5-Chloro-2-methyl-1,4-phenylenediamine
  • 1,4-Diamino-2-methyl-5-chlorobenzene
  • 2-Chloro-5-methyl-p-phenylenediamine
  • 2-Methyl-5-chloro-1,4-diaminobenzene
  • 2-Chloro-5-methyl-1,4-phenylenediamine

Work with 2-Chloro-5-methyl-1,4-benzenediamine

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

2,5-Dichloro-1,4-benzenediamine20103-09-767 % similar 2,5-Dimethyl-P-phenylenediamine6393-01-767 % similar 2-Chloro-4-fluoro-5-methylaniline124185-35-964 % similar 2,4,5-Trimethylaniline137-17-764 % similar 2,4,5-Trichloroaniline636-30-661 % similar 2,2′,5,5′-Tetrachlorobenzidine15721-02-556 % similar 5-Chloro-2-methyl-4-nitrobenzenamine13852-51-253 % similar 4,5-Dimethyl-1,2-phenylenediamine3171-45-752 % similar

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

Same formula

Benzamidine hydrochloride1670-14-0

Elsewhere

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