N-Phenyl-o-phenylenediamine

CAS 534-85-0  ·  C12H12N2  ·  MW 184.24 g/mol

Full record: N-Phenyl-o-phenylenediamine — Safety Data Sheet →

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3D model N-Phenyl-o-phenylenediamine, CAS 534-85-0, molecular formula C12H12N2, molar mass 184.24 g/mol

Model views

  • N-Phenyl-o-phenylenediamine (CAS 534-85-0) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • N-Phenyl-o-phenylenediamine (CAS 534-85-0) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • space-filling 3D model – rotation animation
  • N-Phenyl-o-phenylenediamine (CAS 534-85-0) – 2D structure, MolGod Viewer
    2D structure

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About N-Phenyl-o-phenylenediamine

N-Phenyl-o-phenylenediamine is a chemical compound registered under number CAS 534-85-0, with the molecular formula C12H12N2, and a molar mass of 184.24 g/mol.

The molecule contains 26 atoms connected by 27 chemical bonds. The full systematic IUPAC name of this compound is 2-N-phenylbenzene-1,2-diamine. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, the partition coefficient logP = 2.8 (positive value, a lipophilic compound), polar surface area PSA = 38.1 Ų, 2 donors and 2 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The interactive 3D model and the viewer images are protected by copyright (© MolGod.org) — terms of use: molgod.org/copyright/.

Physicochemical properties
Molecular formulaC12H12N2
Molar mass184.24 g/mol
IUPAC2-N-phenylbenzene-1,2-diamine
SMILESC1=CC=C(C=C1)NC2=CC=CC=C2N
InChIKeyNFCPRRWCTNLGSN-UHFFFAOYSA-N
logP (XLogP3)2.8
PSA38.1 Ų
HBD / HBA2 / 2
PubChem CIDCID 68297 ↗
GHS safety

Signal word: Warning

GHS07
GHS07

H302 — Harmful if swallowed

H315 — Causes skin irritation

H332 — Harmful if inhaled

Scientific literature

Brak articles naukowych dla CAS 534-85-0 w PubMed / OpenAlex / Semantic Scholar.

Synonyms
2-Aminodiphenylamine · 534-85-0 · N-Phenyl-o-phenylenediamine · 1,2-Benzenediamine, N-phenyl- · o-Phenylenediamine, N-phenyl- · NSC-18731 · G2X60K1Y26 · DTXCID9029271 · RefChem:465127 · 208-606-9 · N1-Phenylbenzene-1,2-diamine · o-Semidine · o-Aminodiphenylamine · N-Phenyl-1,2-phenylenediamine · N-phenylbenzene-1,2-diamine
Data sources
Related molecules
📜 License & provenanceMolGod_License_1
COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.
Model
N-Phenyl-o-phenylenediamine · 534-85-0
InChIKey
NFCPRRWCTNLGSN-UHFFFAOYSA-N
License
CC BY-SA 4.0 International
Attribution
MolGod Scientific — N-Phenyl-o-phenylenediamine (CAS 534-85-0)
License & provenance record
N-Phenyl-o-phenylenediamine (CAS 534-85-0) →
MolGod molecule record
N-Phenyl-o-phenylenediamine →
Source data
PubChem CID 68297 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
76092f2bd704ac536bc4a1c0998cb687469db05aea6400219a5ae33da79bea0a
MD5 (STL)
f5656efcbb5c7daf3cea394d4906bde5
MolGod Identification Number
MG_292-375-772-35
Transformation
MolGod Scientific ball-and-stick mesh
Changes
Converted into a triangulated molecular mesh; atomic coordinates and connectivity unchanged.
Wikimedia Commons
not published yet
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