chempirical

Diphenylammonium chloride

C12H12ClNCAS 537-67-7205.69 g/mol

Open in Covalent MOL file
HClNH
Secondary amine

Properties

Molecular formula
C12H12ClN
Molar mass
205.69 g/mol
Exact mass
205.0658 Da
logP
3.85Crippen estimate
Polar surface area
12.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
537-67-7
SMILES
Cl.c1ccc(Nc2ccccc2)cc1
InChIKey
JEFJSEIUEJBMSR-UHFFFAOYSA-N
InChI
InChI=1S/C12H11N.ClH/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;/h1-10,13H;1H

Weigh it out

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

Names and synonyms

3 names
  • Benzenamine, N-phenyl-, hydrochloride (1:1)
  • Diphenylamine, hydrochloride
  • Benzenamine, N-phenyl-, hydrochloride

Work with Diphenylammonium chloride

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

Diphenylamine122-39-480 % similar N,N′-Diphenyl-P-phenylenediamine74-31-775 % similar Diphenylbenzidine531-91-963 % similar Phenylhydrazine hydrochloride59-88-160 % similar Bis-biphenyl-4-yl-amine102113-98-455 % similar 4-Aminodiphenylamine101-54-255 % similar 4-Chloro-N-phenylaniline1205-71-655 % similar 4-Hydroxydiphenylamine122-37-255 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook