Basic information
- CAS
6094-43-5- Standard SMILES
OCCCC1CC2CCCCC2N1- InChIKey
RZMURFXPQFFXCA-UHFFFAOYSA-N- Molecular formula
- C11H21NO
- Average molar mass
- 183.29 g/mol
- Monoisotopic mass
- 183.16231429
Names & identifiers
- Preferred name
- 3-(Octahydro-1H-indol-2-YL)propan-1-OL
- IUPAC
- 3-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)propan-1-ol
Names & synonyms
AGN-PC-0NIF0W6094-43-53-(OCTAHYDRO-1H-INDOL-2-YL)PROPAN-1-OLDTXSID70485168
Database identifiers
- CAS
6094-43-5- PubChem CID
- 12292829
- DTXSID
DTXSID70485168
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 160
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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