Benzeneethanamine, 4-oxo-4-((2-phenylethyl)amino)-2-butanesulfinate

Base Information

• Chemical Name: Benzeneethanamine, 4-oxo-4-((2-phenylethyl)amino)-2-butanesulfinate
• CAS No.: 171359-14-1
• Molecular Formula: C20H28N2O3S
• Molecular Weight: 376.5129
• DSSTox Substance ID: DTXSID30937976
• Mol file: 171359-14-1.mol

Synonyms:171359-14-1;Benzeneethanamine, 4-oxo-4-((2-phenylethyl)amino)-2-butanesulfinate;2-Phenylethylammonium salt of the 2-phenylethylamide of beta-sulfinobutyric acid;4-oxo-4-(2-phenylethylamino)butane-2-sulfinic acid;2-phenylethanamine;DTXSID30937976;BFXVFPMZGQDOQW-UHFFFAOYSA-N;C12H17NO3S.C8H11N;LS-45953;N-(2-Phenylethyl)-3-sulfinobutanimidic acid--2-phenylethan-1-amine (1/1)

Chemical Property of Benzeneethanamine, 4-oxo-4-((2-phenylethyl)amino)-2-butanesulfinate

Chemical Property:

• Vapor Pressure: 5.22E-18mmHg at 25°C
• Boiling Point: 654.2°Cat760mmHg
• Flash Point: 349.5°C
• PSA: 115.12000
• Density: g/cm³
• LogP: 4.93970
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 376.18206393
• Heavy Atom Count: 26
• Complexity: 329

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CC(=O)NCCC1=CC=CC=C1)S(=O)O.C1=CC=C(C=C1)CCN