N-(3-Chlorophenyl)-3-nitriloalaninamide

Base Information

• Chemical Name: N-(3-Chlorophenyl)-3-nitriloalaninamide
• CAS No.: 64145-18-2
• Molecular Formula: C9H8 Cl N3 O
• Molecular Weight: 209.63
• DSSTox Substance ID: DTXSID00697176
• Mol file: 64145-18-2.mol

Synonyms:64145-18-2;N-(3-Chlorophenyl)-3-nitriloalaninamide;DTXSID00697176

Chemical Property of N-(3-Chlorophenyl)-3-nitriloalaninamide

Chemical Property:

• Boiling Point: 422.6±45.0 °C(Predicted)
• PKA: 14.98±0.70(Predicted)
• PSA: 82.40000
• Density: 1.412±0.06 g/cm3(Predicted)
• LogP: 2.47918
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 209.0355896
• Heavy Atom Count: 14
• Complexity: 260

Purity/Quality:

99%min ^*data from raw suppliers

2-amino-n-(3-chloro-phenyl)-2-cyano-acetamide 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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