(2S,3aS,7aR)-Octahydro-1H-Indolium-2-Carboxylate
[CAS# 145513-93-5]

Identification

• Name: (2S,3aS,7aR)-Octahydro-1H-Indolium-2-Carboxylate
• Synonyms: (2S,3aS,7aR)-octahydro-1H-indole-2-carboxylic acid; (2s,3as,7as)-Octahydro-1H-indole-2-carboxylic acid
• Molecular Formula: C₉H₁₅NO₂
• Molecular Weight: 169.22
• CAS Registry Number: 145513-93-5
• SMILES: [O-]C(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1
• InChI: 1S/C9H15NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h6-8,10H,1-5H2,(H,11,12)/t6-,7+,8-/m0/s1
• InChIKey: CQYBNXGHMBNGCG-RNJXMRFFSA-N

Properties

• Density: 1.136g/cm³ (Cal.)
• Boiling point: 318.57°C at 760 mmHg (Cal.)
• Flash point: 146.466°C (Cal.)
• Refractive index: 1.508 (Cal.)