Diphenylamine hydrochloride

C₁₂H₁₂ClNCAS 537-67-7205.69 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H319 Causes serious eye irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501

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

4 names

Benzenamine, N-phenyl-, hydrochloride (1:1)
Diphenylamine, hydrochloride
Benzenamine, N-phenyl-, hydrochloride
Diphenylammonium chloride

Work with Diphenylamine hydrochloride

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Diphenylamine122-39-4Free base Diphenylammonium trifluoromethanesulfonate164411-06-7Salt

Similar compounds

N,N′-Diphenyl-p-phenylenediamine74-31-775 % similar N,N′-Diphenylbenzidine531-91-963 % similar N-Phenyl-4-biphenylamine32228-99-260 % similar Phenylhydrazine hydrochloride59-88-160 % similar N-Phenyl-[1,1':4',1''-terphenyl]-4-amine897671-81-760 % similar Bis-biphenyl-4-yl-amine102113-98-455 % similar 4-Aminodiphenylamine101-54-255 % similar 4-Chloro-N-phenylaniline1205-71-655 % similar

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

Same formula

2-Chloro-4,5,7-trimethylquinoline329210-71-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook