Pentanamide, N-(5-amino-2-chlorophenyl)-4,4-dimethyl-3-oxo-

Base Information

• Chemical Name: Pentanamide, N-(5-amino-2-chlorophenyl)-4,4-dimethyl-3-oxo-
• CAS No.: 59191-99-0
• Molecular Formula: C13H17ClN2O2
• Molecular Weight: 268.74
• European Community (EC) Number: 261-653-7
• DSSTox Substance ID: DTXSID2069313
• Nikkaji Number: J43.032C
• Wikidata: Q72434690
• ChEMBL ID: CHEMBL4894662
• Mol file: 59191-99-0.mol

Synonyms:59191-99-0;n-(5-amino-2-chlorophenyl)-4,4-dimethyl-3-oxopentanamide;Pentanamide, N-(5-amino-2-chlorophenyl)-4,4-dimethyl-3-oxo-;N-(5-Amino-2-chlorophenyl)-4,4-dimethyl-3-oxovaleramide;EINECS 261-653-7;(S)-|A-phenylalanine;Oprea1_226579;SCHEMBL6161123;CHEMBL4894662;DTXSID2069313;AKOS015915410;FT-0653147;AB00073629-01;A832202;W-111167

Chemical Property of Pentanamide, N-(5-amino-2-chlorophenyl)-4,4-dimethyl-3-oxo-

Chemical Property:

• Vapor Pressure: 6.29E-09mmHg at 25°C
• Refractive Index: 1.587
• Boiling Point: 467.9 °C at 760 mmHg
• Flash Point: 236.8 °C
• PSA: 72.19000
• Density: 1.241g/cm³
• LogP: 4.32220
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 268.0978555
• Heavy Atom Count: 18
• Complexity: 325

Purity/Quality:

98% ^*data from raw suppliers

N-(5-Amino-2-chlorophenyl)-4,4-dimethyl-3-oxopentanamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C(=O)CC(=O)NC1=C(C=CC(=C1)N)Cl