3H-1-Benzazepine, 4,5-dihydro-8-cyclohexyl-2-(isopropylamino)-, monohydrochloride

HCID 135417153

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Basic information

CAS: 30558-88-4
Standard SMILES: CC(C)N=C1CCCc2ccc(C3CCCCC3)cc2N1.Cl
InChIKey: ZLAGRXWZBMXFON-UHFFFAOYSA-N
Molecular formula: C19H29ClN2
Average molar mass: 320.9 g/mol
Monoisotopic mass: 320.2019266

Names & identifiers

Preferred name: 3H-1-Benzazepine, 4,5-dihydro-8-cyclohexyl-2-(isopropylamino)-, monohydrochloride
IUPAC: 8-cyclohexyl-N-propan-2-yl-1,3,4,5-tetrahydro-1-benzazepin-2-imine;hydrochloride

Names & synonyms

3H-1-Benzazepine, 4,5-dihydro-8-cyclohexyl-2-(isopropylamino)-, monohydrochloride4,5-Dihydro-8-cyclohexyl-2-(isopropylamino)-3H-1-benzazepine monohydrochlorideDTXSID3018464530558-88-4RefChem:283052DTXCID701071368-Cyclohexyl-N-(propan-2-yl)-4,5-dihydro-3H-1-benzazepin-2-amine--hydrogen chloride (1/1)

Database identifiers

CAS: 30558-88-4
PubChem CID: 135417153
DTXSID: DTXSID30184645

Properties

Computed structural properties

Topological polar surface area: 24.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 22
Formal charge: 0
Complexity: 355

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