Basic information
- CAS
4499-21-2- Standard SMILES
CC1=NCCC2=C[NH+](C)c3c(Cl)ccc1c32.[Cl-]- InChIKey
ORQKXOPCHGZUCM-UHFFFAOYSA-N- Molecular formula
- C13H14Cl2N2
- Average molar mass
- 269.17 g/mol
- Monoisotopic mass
- 268.0534038
Names & identifiers
- Preferred name
- 1H-Azepino(5,4,3-cd)indole, 3,4-dihydro-9-chloro-1,6-dimethyl-, hydrochloride
- IUPAC
- 5-chloro-3,9-dimethyl-10-aza-3-azoniatricyclo[6.4.1.04,13]trideca-1,4,6,8(13),9-pentaene chloride
Names & synonyms
1H-AZEPINO(5,4,3-cd)INDOLE, 3,4-DIHYDRO-9-CHLORO-1,6-DIMETHYL-, HYDROCHLORIDE4499-21-2RefChem:10578033,4-Dihydro-9-chloro-1,6-dimethyl-1H-azepino(5,4,3-cd)indole hydrochloride9-Chloro-3,4,-dihydro-1,6-dimethyl-1H-azepino(5,4,3-cd)indole hydrochloride
Database identifiers
- CAS
4499-21-2- PubChem CID
- 20583
Properties
Computed structural properties
- Topological polar surface area
- 16.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 361
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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