CAS 6631-37-4 N-2-Pyridylaniline (HCID 81130)

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Basic information

CAS: 6631-37-4
Standard SMILES: c1ccc(Nc2ccccn2)cc1
InChIKey: HUDSSSKDWYXKGP-UHFFFAOYSA-N
Molecular formula: C11H10N2
Average molar mass: 170.21 g/mol
Monoisotopic mass: 170.08439832

Names & identifiers

Preferred name: N-2-Pyridylaniline
IUPAC: N-phenylpyridin-2-amine
English name: 2-Anilinopyridine
Molecular formula: C11H10N2
Molecular weight: 170.21

Names & synonyms

N-2-PyridylanilineEINECS 229-625-9DTXSID40216522NSC 53090RefChem:828781DTXCID70139013229-625-92-Anilinopyridinen-phenylpyridin-2-amine6631-37-4N-phenyl-2-pyridinamineMFCD00006248

Show more names

AURORA KA-65582-Anilinopyridine,97%Phenyl-2-pyridineAMineN-(2-Pyridinyl)aniline

2-PHENYLAMINOPYRIDINEphenyl-2-pyridylamineN-Phenyl-N-(2-pyridinyl)amine2-(N-phenylamino)pyridine2-Pyridinamine, N-phenyl-CHEMBL555260HMS1409I05HMS2353G12

Database identifiers

CAS: 6631-37-4
PubChem CID: 81130
DTXSID: DTXSID40216522
ChEMBL: CHEMBL555260
UNII: Z3EX9WC6VV
EC Number: 229-625-9
Nikkaji: J81.252H

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 24.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 141

Experimental & physicochemical properties

LogP2.75

Physicochemical properties

Melting point: 106 · 106-112℃
Boiling point: 205 · 205-206℃/7mm
Density: 1.249 · 1.249
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
form: Solid
pka: 5.58 · 5.58±0.10(Predicted)
Appearance: White to off-white Solid
InChI: InChI=1S/C11H10N2/c1-2-6-10(7-3-1)13-11-8-4-5-9-12-11/h1-9H,(H,12,13)
InChIKey: HUDSSSKDWYXKGP-UHFFFAOYSA-N
SMILES: C1(NC2=CC=CC=C2)=NC=CC=C1
CAS DataBase Reference: 6631 · 6631-37-4(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.