(2S,3aR,7aR)-Octahydro-1H-indolium-2-carboxylate
[CAS# 87679-20-7]

Identification

• Name: (2S,3aR,7aR)-Octahydro-1H-indolium-2-carboxylate
• Synonyms: (2S,3aR,7aR)-octahydro-1H-indole-2-carboxylic acid; ZINC04899688
• Molecular Formula: C₉H₁₅NO₂
• Molecular Weight: 169.22
• CAS Registry Number: 87679-20-7
• 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+/m1/s1
• InChIKey: CQYBNXGHMBNGCG-PRJMDXOYSA-N

Properties

• Density: 1.135g/cm³ (Cal.)
• Boiling point: 318.57°C at 760 mmHg (Cal.)
• Flash point: 146.466°C (Cal.)