4-Oxo-4-((2-phenylethyl)amino)-2-butanesulfinic acid compd. with benzeneethanamine (1:1)
[CAS# 171359-14-1]

Identification

• Name: 4-Oxo-4-((2-phenylethyl)amino)-2-butanesulfinic acid compd. with benzeneethanamine (1:1)
• Synonyms: 4-Keto-4-(2-Phenylethylamino)Butane-2-Sulfinic Acid; Phenethylamine; 2-Butanesulfinic Acid, 4-Oxo-4-((2-Phenylethyl)Amino)-, Compd. With Benzeneethanamine (1:1); 2-Phenylethylammonium Salt Of The 2-Phenylethylamide Of Beta-Sulfinobutyric Acid
• Molecular Formula: C₂₀H₂₈N₂O₃S
• Molecular Weight: 376.51
• CAS Registry Number: 171359-14-1
• SMILES: C1=C(CCNC(=O)CC([S](=O)O)C)C=CC=C1.C2=C(C=CC=C2)CCN
• InChI: 1S/C12H17NO3S.C8H11N/c1-10(17(15)16)9-12(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: BFXVFPMZGQDOQW-UHFFFAOYSA-N

Properties

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