1,2,3,4,4a,5,10,10a-Octahydro-benzo(g)quinoline
Basic information
- CAS
67728-01-2- Standard SMILES
c1ccc2c(c1)CC1CCCNC1C2- InChIKey
PXDWMPVOPNRION-UHFFFAOYSA-N- Molecular formula
- C13H17N
- Average molar mass
- 187.28 g/mol
- Monoisotopic mass
- 187.13609955
Names & identifiers
- Preferred name
- 1,2,3,4,4a,5,10,10a-Octahydro-benzo(g)quinoline
- IUPAC
- 1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinoline
Names & synonyms
67728-01-21,2,3,4,4a,5,10,10a-Octahydro-benzo[g]quinoline1,2,3,4,4a,5,10,10a-Octahydro-benzo(g)quinolineRefChem:214248CHEMBL1339471,2,3,4,4a,5,10,10a-Octahydrobenzo[g]quinolineSCHEMBL4107088DTXSID80603290BDBM50219331PD179119
Database identifiers
- CAS
67728-01-2- PubChem CID
- 20186598
- DTXSID
DTXSID80603290- ChEMBL
CHEMBL133947
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 201
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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