N-Phenyl-o-phenylenediamine

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

Loading molecule...
3D model N-Phenyl-o-phenylenediamine, CAS 534-85-0, molecular formula C12H12N2, molar mass 184.24 g/mol
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 widget above may be used for educational, research and commercial purposes.

Physicochemical properties
Molecular formulaC12H12N2
Masa molowa184.24 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 — Działa szkodliwie po połknięciu

H315 — Działa drażniąco na skórę

H332 — Działa szkodliwie w następstwie wdychania

Scientific literature

Related literature

1 articles · 1 open access · Sources: PubMed, OpenAlex, Semantic Scholar

Filtry:Eksport:📄 BibTeX📑 RIS📋 EndNote🔧 CSL-JSON

Dane z PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary wygenerowane przez Semantic Scholar TLDR. Artykuły z ikoną wymagają płatnego dostępu.

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 & Provenance

MolGod 3D molecular model
N-Phenyl-o-phenylenediamine — CAS 534-85-0

License: CC BY-SA 4.0 (source rights NIEUSTALONE — not yet granted for this model)

MolGod License & Provenance Record:
N-Phenyl-o-phenylenediamine (CAS 534-85-0) — License & Provenance

Source:
N-Phenyl-o-phenylenediamine (CAS 534-85-0) — MolGod molecule record

Source data: PubChem CID 68297

STL: Download 3D model (533 KB)

SHA-256: 16983d8238cde5ad7e73cc79d9c978571f01d160903245990ca5eddb1b0025bd

Wikimedia Commons: not published yet

Source data: PubChem CID 68297

This licence applies to the MolGod-created STL mesh, not automatically to third-party source material.