3-(Benzylsulfinyl)-D-Alanine
[CAS# 394704-97-3]

Identification

• Name: 3-(Benzylsulfinyl)-D-Alanine
• Synonyms: D-Alanine, 3-[(S)-(phenylmethyl)sulfinyl]-
• Molecular Formula: C₁₀H₁₃NO₃S
• Molecular Weight: 227.28
• CAS Registry Number: 394704-97-3
• SMILES: O=S(Cc1ccccc1)C[C@@H](N)C(O)=O
• InChI: 1S/C10H13NO3S/c11-9(10(12)13)7-15(14)6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-,15?/m1/s1
• InChIKey: OBQBHBOGTLPNJM-WXMRUQJCSA-N

Properties

• Density: 1.391g/cm³ (Cal.)
• Boiling point: 504.48°C at 760 mmHg (Cal.)
• Flash point: 258.901°C (Cal.)
• Refractive index: 1.641 (Cal.)