Diphenylamine

C₁₂H₁₁NCAS 122-39-4169.23 g/mol

Open in Covalent MOL file

Secondary amine

Properties

Molecular formula: C₁₂H₁₁N
Molar mass: 169.23 g/mol
Exact mass: 169.0891 Da
Density: 1.16 g/mL
Melting point: 53–54 °C
Boiling point: 302 °C
pKa: 0.78 (24 °C)
Flash point: 153 °C (closed cup)
Water solubility: 53 mg/L
logP: 3.43Crippen estimate
Polar surface area: 12.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Hazards

Danger

H301 Toxic if swallowedAcute toxicity, oral
H311 Toxic in contact with skinAcute toxicity, dermal
H331 Toxic if inhaledAcute toxicity, inhalation
H373 ** May causes damage to organs through prolonged or repeated exposureSpecific target organ toxicity, repeated exposure
H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 612-026-00-5), via PubChem.

Precautionary statements

P260, P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P319, P321, P330, P361+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

122-39-4

SMILES

c1ccc(Nc2ccccc2)cc1

InChIKey

DMBHHRLKUKUOEG-UHFFFAOYSA-N

InChI

InChI=1S/C12H11N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H

Weigh it out

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

Names and synonyms

14 names · show all

Benzenamine, N-phenyl-
N-Phenylbenzenamine
Anilinobenzene
DFA
DPA
Benzene, (phenylamino)-
N,N-Diphenylamine
N-Phenylaniline
DBA
No-scald
Naugalube 428L
NSC 215210
Antioxidant DPA
N-Phenyl-α-aniline

Work with Diphenylamine

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 Boiling point under vacuumAt any pressure, from its normal boiling point 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.

Diphenylamine hydrochloride537-67-7Salt Diphenylammonium trifluoromethanesulfonate164411-06-7Salt

Similar compounds

N,N′-Diphenyl-p-phenylenediamine74-31-792 % similar N,N′-Diphenylbenzidine531-91-975 % similar N-Phenyl-4-biphenylamine32228-99-271 % similar N-Phenyl-[1,1':4',1''-terphenyl]-4-amine897671-81-771 % similar Bis-biphenyl-4-yl-amine102113-98-465 % similar 4-Aminodiphenylamine101-54-263 % similar 4-Chloro-N-phenylaniline1205-71-663 % similar 4-Hydroxydiphenylamine122-37-263 % similar

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

Same formula

2-(Phenylmethyl)pyridine101-82-6 3-Methyl-2-phenylpyridine10273-90-2 4-Benzylpyridine2116-65-6 3-Aminobiphenyl2243-47-2 5-Methyl-2-phenylpyridine27012-22-2 4-Methyl-2-phenylpyridine3475-21-6 2-(4-Methylphenyl)pyridine4467-06-5 3-Benzylpyridine620-95-1

Elsewhere

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