5H-Benzocycloheptene-2-methanol, 6,7,8,9-tetrahydro-alpha-((cyclohexylamino)methyl)-, hydrochloride

HCID 39345

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 42882-71-3
Standard SMILES: OC(C[NH2+]C1CCCCC1)c1ccc2c(c1)CCCCC2.[Cl-]
InChIKey: BGMWQAVSLRVIBL-UHFFFAOYSA-N
Molecular formula: C19H30ClNO
Average molar mass: 323.9 g/mol
Monoisotopic mass: 323.2015923

Names & identifiers

Preferred name: 5H-Benzocycloheptene-2-methanol, 6,7,8,9-tetrahydro-alpha-((cyclohexylamino)methyl)-, hydrochloride
IUPAC: cyclohexyl-[2-hydroxy-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethyl]azanium chloride

Names & synonyms

42882-71-35H-Benzocycloheptene-2-methanol, 6,7,8,9-tetrahydro-alpha-((cyclohexylamino)methyl)-, hydrochloride6,7,8,9-Tetrahydro-alpha-((cyclohexylamino)methyl)-5H-benzocycloheptene-2-methanol HClRefChem:305365

Database identifiers

CAS: 42882-71-3
PubChem CID: 39345

Properties

Computed structural properties

Topological polar surface area: 36.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 22
Formal charge: 0
Complexity: 300

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…