2-Phenoxynicotinamide

Base Information

• Chemical Name: 2-Phenoxynicotinamide
• CAS No.: 111950-69-7
• Molecular Formula: C₁₂H₁₀N₂O₂
• Molecular Weight: 214.224
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID90371852
• Wikidata: Q82159337
• ChEMBL ID: CHEMBL1431859
• Mol file: 111950-69-7.mol

Synonyms:2-phenoxynicotinamide;111950-69-7;2-phenoxypyridine-3-carboxamide;3-Pyridinecarboxamide,2-phenoxy-;phenoxynicotinamide;Maybridge1_001145;Oprea1_672889;MLS000833632;SCHEMBL742272;CHEMBL1431859;HMS544M01;DTXSID90371852;HMS2807P06;MFCD00052252;AKOS015908596;CCG-234600;SDCCGMLS-0065844.P001;SMR000457153;TS-03061;CS-0365073;FT-0613292;W-204762

Chemical Property of 2-Phenoxynicotinamide

Chemical Property:

• Vapor Pressure: 2.25E-06mmHg at 25°C
• Melting Point: 162-163 °C
• Refractive Index: 1.611
• Boiling Point: 392.7 °C at 760 mmHg
• PKA: 14.29±0.50(Predicted)
• Flash Point: 191.3 °C
• PSA: 65.21000
• Density: 1.245 g/cm³
• LogP: 2.67310
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 214.074227566
• Heavy Atom Count: 16
• Complexity: 239

Purity/Quality:

98%Min ^*data from raw suppliers

2-Phenoxynicotinamide 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)OC2=C(C=CC=N2)C(=O)N