alpha-Allokainic Acid
[CAS# 4071-39-0]

Identification

• Name: alpha-Allokainic Acid
• Synonyms: (3S)-3-(Carboxymethyl)-4-Isopropenyl-Pyrrolidine-2-Carboxylic Acid; (3S)-3-(Carboxymethyl)-4-Isopropenyl-2-Pyrrolidinecarboxylic Acid; (3S)-3-(Carboxymethyl)-4-Isopropenyl-Proline
• Molecular Formula: C₁₀H₁₅NO₄
• Molecular Weight: 213.23
• CAS Registry Number: 4071-39-0
• SMILES: [C@H]1(CC(=O)O)C(C(C)=C)CNC1C(=O)O
• InChI: 1S/C10H15NO4/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13/h6-7,9,11H,1,3-4H2,2H3,(H,12,13)(H,14,15)/t6-,7?,9?/m0/s1
• InChIKey: VLSMHEGGTFMBBZ-PTNSZRNDSA-N

Properties

• Density: 1.22g/cm³ (Cal.)
• Boiling point: 439.879°C at 760 mmHg (Cal.)
• Flash point: 219.831°C (Cal.)