1H-Azepino(5,4,3-cd)indole, 3,4,5,6-tetrahydro-6-methyl-, hydrochloride

HCID 20581

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Basic information

CAS: 4499-20-1
Standard SMILES: CC1[NH2+]CCc2c[nH]c3cccc1c23.[Cl-]
InChIKey: YQGWWPIFPHGHTG-UHFFFAOYSA-N
Molecular formula: C12H15ClN2
Average molar mass: 222.71 g/mol
Monoisotopic mass: 222.0923762

Names & identifiers

Preferred name: 1H-Azepino(5,4,3-cd)indole, 3,4,5,6-tetrahydro-6-methyl-, hydrochloride
IUPAC: 9-methyl-3-aza-10-azoniatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene chloride

Names & synonyms

6-Methyl-3,4,5,6-tetrahydro-1H-azepino(5,4,3-cd)indole hydrochloride1H-AZEPINO(5,4,3-cd)INDOLE, 3,4,5,6-TETRAHYDRO-6-METHYL-, HYDROCHLORIDE4499-20-1RefChem:237398

Database identifiers

CAS: 4499-20-1
PubChem CID: 20581

Properties

Computed structural properties

Topological polar surface area: 32.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 15
Formal charge: 0
Complexity: 216

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