Azepino(4,5-b)indole, 1,2,3,4,5,6-hexahydro-3,6-dimethyl-, monohydrochloride
Basic information
- CAS
15918-75-9- Standard SMILES
CN1CCC2=C(CC1)[NH+](C)c1ccccc12.[Cl-]- InChIKey
QMRQQSGJBIHEEB-UHFFFAOYSA-N- Molecular formula
- C14H19ClN2
- Average molar mass
- 250.77 g/mol
- Monoisotopic mass
- 250.1236763
Names & identifiers
- Preferred name
- Azepino(4,5-b)indole, 1,2,3,4,5,6-hexahydro-3,6-dimethyl-, monohydrochloride
- IUPAC
- 3,6-dimethyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-6-ium chloride
Names & synonyms
15918-75-9AZEPINO(4,5-b)INDOLE, 1,2,3,4,5,6-HEXAHYDRO-3,6-DIMETHYL-, MONOHYDROCHLORIDERefChem:10773971,2,3,4,5,6-Hexahydro-3,6-dimethyl-azepino(4,5-b)indole hydrochloride
Database identifiers
- CAS
15918-75-9- PubChem CID
- 27550
Properties
Computed structural properties
- Topological polar surface area
- 7.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 308
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Compound notes
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