Basic information
- CAS
22401-80-5- Standard SMILES
Nc1cccc2c3c([nH]c12)CCCCC3- InChIKey
VMHVGHSXXOOLRS-UHFFFAOYSA-N- Molecular formula
- C13H16N2
- Average molar mass
- 200.28 g/mol
- Monoisotopic mass
- 200.13134852
Names & identifiers
- Preferred name
- 5,6,7,8,9,10-Hexahydrocyclohepta[b]indol-4-amine
- IUPAC
- 5,6,7,8,9,10-hexahydrocyclohepta[b]indol-4-amine
Names & synonyms
5,6,7,8,9,10-hexahydrocyclohepta[b]indol-4-amine22401-80-5Cyclohept(b)indole, 4-amino-5,6,7,8,9,10-hexahydro-DTXSID90945057
Database identifiers
- CAS
22401-80-5- PubChem CID
- 185487
- DTXSID
DTXSID90945057
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 41.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 229
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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