chempirical

N1-(4-Chlorophenyl)-1,2-benzenediamine

C12H11ClN2CAS 68817-71-0218.68 g/mol

Open in Covalent MOL file
H2NNHCl
Aryl halidePrimary amineSecondary amine

Properties

Molecular formula
C12H11ClN2
Molar mass
218.68 g/mol
Exact mass
218.0611 Da
Melting point
120–121 °C
logP
3.67Crippen estimate
Polar surface area
38.0 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Identifiers

CAS number
68817-71-0
SMILES
Nc1ccccc1Nc1ccc(Cl)cc1
InChIKey
WEUBIWJPIRTWDF-UHFFFAOYSA-N
InChI
InChI=1S/C12H11ClN2/c13-9-5-7-10(8-6-9)15-12-4-2-1-3-11(12)14/h1-8,15H,14H2

Weigh it out

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

Names and synonyms

8 names
  • 1,2-Benzenediamine, N1-(4-chlorophenyl)-
  • 1,2-Benzenediamine, N-(4-chlorophenyl)-
  • N-(p-Chlorophenyl)-o-phenylenediamine
  • N-(4-Chlorophenyl)-1,2-phenylenediamine
  • N-(4-Chlorophenyl)benzene-1,2-diamine
  • 1-N-(4-Chlorophenyl)benzene-1,2-diamine
  • 1,2-Benzenediamine N1-(4-chlorophenyl)-
  • 2-N-(4-Chlorophenyl)benzene-1,2-diamine

Work with N1-(4-Chlorophenyl)-1,2-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

N-Phenyl-O-phenylenediamine534-85-068 % similar 4-Chloro-N-phenylaniline1205-71-655 % similar N-(4-Chlorophenyl)-2-nitrobenzenamine23008-56-249 % similar 4′-Chloro[1,1′-biphenyl]-2-amine1204-44-048 % similar 2-Amino-4′-chlorobenzophenone2894-51-145 % similar 2,4-Diaminodiphenylamine136-17-444 % similar 2-(4-Chlorophenoxy)benzenamine2770-11-844 % similar 2-[(4-Chlorophenyl)thio]benzenamine37750-29-144 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook