Diphenylamine

Synonyms: N-Phenylaniline, "N-Phenylbenzenamine", "Anilinobenzene", "N,N-diphenylamine", "Phenylaniline", "Scaldip", "N-Phenylbenzeneamine", "Styrenated diphenylamine", "Difenylamin", "N-Fenylanilin", "DIPHENYL-AMINE", "(phenylamino)benzene", "Diphenylamine"

Source: Diphenylamine is used in the manufacture of antidegradants or vulcanising agents for rubber and as antioxidant in oils.

Identifiers:

IUPAC Name: N-phenylaniline
CAS Number: 122-39-4
PubChem ID: 11487
InChiKey: DMBHHRLKUKUOEG-UHFFFAOYSA-N
Canonical SMILES: C1=CC=C(C=C1)NC2=CC=CC=C2

Structural Properties:

Molecular Formula: C₁₂H₁₁N
Molecular Weight: 169,220

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 1
Number of atoms different from hydrogen: 13

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Evidence Supporting This Chemical as an Emerging Contaminant

Lapworth, D. J., Baran, N., Stuart, M. E., Manamsa, K., & Talbot, J. (2015). Persistent and emerging micro-organic contaminants in Chalk groundwater of England and France. Environmental pollution, 203, 214-225.

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2D-structure

3D-structure