Basic information
- CAS
51153-70-9- Standard SMILES
OC[C@@H]1C[C@H]2CCNC[C@H]2C1- InChIKey
JTASGPLMICMWPR-IWSPIJDZSA-N- Molecular formula
- C9H17NO
- Average molar mass
- 155.24 g/mol
- Monoisotopic mass
- 155.13101417
Names & identifiers
- Preferred name
- [(4aS,6R,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridin-6-yl]methanol
- IUPAC
- [(4aS,6R,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridin-6-yl]methanol
- English name
- 1H-Cyclopenta[c]pyridine-6-methanol,octahydro-,(4a-alpha-,6-alpha-,7a-alpha-)-(9CI)
- Molecular formula
- C9H17NO
- Molecular weight
- 155.24
Names & synonyms
1H-Cyclopenta[c]pyridine-6-methanol,octahydro-,(4a-alpha-,6-alpha-,7a-alpha-)-(9CI)
Database identifiers
- CAS
51153-70-9- PubChem CID
- 131854509
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 138
Physicochemical properties
- Boiling point
- 261.176 · 261.176±13.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1 · 1.000±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 15.02 · 15.020±0.10(predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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