Basic information
- CAS
85782-28-1- Standard SMILES
CCOC1=N[C@H]2CCCC[C@H]2N1- InChIKey
GSNANURCQIKKGZ-OCAPTIKFSA-N- Molecular formula
- C9H16N2O
- Average molar mass
- 168.24 g/mol
- Monoisotopic mass
- 168.12626314
Names & identifiers
- Preferred name
- (3aS,7aR)-2-ethoxy-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole
- IUPAC
- (3aS,7aR)-2-ethoxy-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole
Names & synonyms
NSC36540485782-28-1DTXSID30320844NSC-365404(3aS,7aR)-2-Ethoxy-3a,4,5,6,7,7a-hexahydro-1H-1,3-benzimidazole
Database identifiers
- CAS
85782-28-1- PubChem CID
- 339307
- DTXSID
DTXSID30320844
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 33.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 191
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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