CAS 3034-31-9 N-Phenylisonicotinamide (HCID 220840)

Substructure search Find similar structures

Basic information

CAS: 3034-31-9
Standard SMILES: O=C(Nc1ccccc1)c1ccncc1
InChIKey: FCTZHFATVFONMW-UHFFFAOYSA-N
Molecular formula: C12H10N2O
Average molar mass: 198.22 g/mol
Monoisotopic mass: 198.07931294

Overview

See also: 4-Isonicotinic acid anilide (annotation moved to).

Names & identifiers

Preferred name: N-Phenylisonicotinamide
IUPAC: N-phenylpyridine-4-carboxamide
English name: N-phenyl isonicotinamide
Molecular formula: C12H10N2O
Molecular weight: 198.22

Names & synonyms

3034-31-9N-PhenylisonicotinamideN-Phenyl isonicotinicamideN-Phenyl-isonicotinamideN-Phenylpyridine-4-carboxamideIsonicotinanilideN-phenyl-4-pyridinecarboxamide4-Pyridinecarboxamide, N-phenyl-MFCD004592464-(N-phenylcarbamoyl)pyridineNSC 4266N-phenyl-4-pyridylcarboxamide

Show more names

SKL8641,2-Ethanediamine,4-phenyl-N-Phenyl isonicotinamide ,97%

N-phenyl isonicotinamide4-Pyridinecarboxamide,N-phenyl-NSC4266N-PhenylisonicotinicamideN-Phenylisonicotinamide #Oprea1_154786Oprea1_415394CBDivE_001530

Database identifiers

CAS: 3034-31-9
PubChem CID: 220840
DTXSID: DTXSID90277800
ChEMBL: CHEMBL1410760
Nikkaji: J589.168J

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 42 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 206

Physicochemical properties

Melting point: 170 · 170-172℃
Boiling point: 266 ℃ · 266℃
Density: 1.227 · 1.227
Flash point: 115 ℃ · 115℃
storage temp.: Inert atmosphere,Room Temperature
pka: 11.85 · 11.85±0.70(Predicted)
Appearance: White to off-white Solid
Symbol(GHS): 6 · GHS06,GHS08
Signal word: Danger
Hazard statements: 301 · H301-H315-H319-H341
Precautionary statements: 501 · P501-P270-P202-P201-P264-P280-P302+P352-P308+P313-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P310+P330-P405
HS Code: 29333990 · 29333990

Safety & regulation

Safety data

hs_code: 29333990
Signal word: Danger
Symbol(GHS): GHS06,GHS08
Hazard statements: H301-H315-H319-H341
Precautionary statements: P501-P270-P202-P201-P264-P280-P302+P352-P308+P313-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P310+P330-P405