Benzeneethanamine 2-methyl-3-oxo-3-((2-phenylethyl)amino)-1-propanesulfinate
[CAS# 171359-16-3]

Identification

• Name: Benzeneethanamine 2-methyl-3-oxo-3-((2-phenylethyl)amino)-1-propanesulfinate
• Synonyms: 3-Keto-2-Methyl-3-(2-Phenylethylamino)Propane-1-Sulfinic Acid; Phenethylamine; 1-Propanesulfinic Acid, 2-Methyl-3-Oxo-3-((2-Phenylethyl)Amino)-, Compd. With Benzeneethanamine (1:1); 2-Phenylethylammonium Salt Of The 2-Phenylethylamide Of Beta-Sulfinoisobutyric Acid
• Molecular Formula: C₂₀H₂₈N₂O₃S
• Molecular Weight: 376.51
• CAS Registry Number: 171359-16-3
• SMILES: C1=C(CCNC(=O)C(C[S](=O)O)C)C=CC=C1.C2=C(C=CC=C2)CCN
• InChI: 1S/C12H17NO3S.C8H11N/c1-10(9-17(15)16)12(14)13-8-7-11-5-3-2-4-6-11;9-7-6-8-4-2-1-3-5-8/h2-6,10H,7-9H2,1H3,(H,13,14)(H,15,16);1-5H,6-7,9H2
• InChIKey: WNEMAYRCALRIJI-UHFFFAOYSA-N

Properties

• Boiling point: 654.2°C at 760 mmHg (Cal.)
• Flash point: 349.5°C (Cal.)