Alliin
[CAS# 17795-27-6]

Identification

• Classification: Biochemical >> Common amino acids and protein drugs
• Name: Alliin
• Synonyms: 3-Allylsulfinyl-2-Amino-Propanoic Acid; 3-Allylsulfinyl-2-Aminopropanoic Acid; 3-Allylsulfinyl-2-Amino-Propionic Acid
• Molecular Formula: C₆H₁₁NO₃S
• Molecular Weight: 177.22
• CAS Registry Number: 17795-27-6
• SMILES: C([S](=O)CC=C)C(N)C(=O)O
• InChI: 1S/C6H11NO3S/c1-2-3-11(10)4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)
• InChIKey: XUHLIQGRKRUKPH-UHFFFAOYSA-N

Properties

• Density: 1.354g/cm³ (Cal.)
• Boiling point: 416.132°C at 760 mmHg (Cal.)
• Flash point: 205.469°C (Cal.)