Benzoic acid; 3-phenylbutan-2-amine

Base Information

• Chemical Name: Benzoic acid; 3-phenylbutan-2-amine
• CAS No.: 6306-72-5
• Molecular Formula: C17H21NO2
• Molecular Weight: 271.35
• NSC Number: 42045
• DSSTox Substance ID: DTXSID60978998
• Mol file: 6306-72-5.mol

Synonyms:benzoic acid; 3-phenylbutan-2-amine;6306-72-5;NSC42045;DTXSID60978998;NSC-42045;3-Phenyl-2-butanamine benzoate (1:1);Benzoic acid--3-phenylbutan-2-amine (1/1)

Chemical Property of Benzoic acid; 3-phenylbutan-2-amine

Chemical Property:

• Vapor Pressure: 0.139mmHg at 25°C
• Boiling Point: 216.5 °C at 760 mmHg
• Flash Point: 90.6 °C
• PSA: 63.32000
• LogP: 4.22240
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 271.157228913
• Heavy Atom Count: 20
• Complexity: 209

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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