1H-Indole-2-carboxylicacid,octahydro-,(2-alpha-,3a-bta-,7a-alpha-)-(9CI)
Basic information
- CAS
87679-51-4- Standard SMILES
O=C(O)[C@H]1C[C@H]2CCCC[C@@H]2N1- InChIKey
CQYBNXGHMBNGCG-GJMOJQLCSA-N- Molecular formula
- C9H15NO2
- Average molar mass
- 169.22 g/mol
Names & identifiers
- Preferred name
- 1H-Indole-2-carboxylicacid,octahydro-,(2-alpha-,3a-bta-,7a-alpha-)-(9CI)
- English name
- 1H-Indole-2-carboxylicacid,octahydro-,(2-alpha-,3a-bta-,7a-alpha-)-(9CI)
- Molecular formula
- C9H15NO2
- Molecular weight
- 169.22
Names & synonyms
(2R, 3aR,7aS)-rel-Octahydro-indole-2-carboxylic acid1H-Indole-2-carboxylic acid, octahydro-, (2R,3aR,7aS)-rel-1H-Indole-2-carboxylicacid,octahydro-,(2-alpha-,3a-bta-,7a-alpha-)-(9CI)
Database identifiers
- CAS
87679-51-4
Properties
Physicochemical properties
- Melting point
- 274 · 274-276 °C
- Boiling point
- 318.6 · 318.6±25.0 °C(Predicted)
- Density
- 1.135 · 1.135±0.06 g/cm3(Predicted)
- pka
- 2.47 · 2.47±0.20(Predicted)
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Compound notes
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