5H-Dibenzo(a,d)cycloheptene-5-propylamine, 10,11-dihydro-N,N,3-trimethyl-, monohydrochloride

HCID 50128

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Basic information

CAS: 68263-44-5
Standard SMILES: Cc1ccc2c(c1)C(CCC[NH+](C)C)c1ccccc1CC2.[Cl-]
InChIKey: DGHSFLRNOAWBJD-UHFFFAOYSA-N
Molecular formula: C21H28ClN
Average molar mass: 329.9 g/mol
Monoisotopic mass: 329.1910276

Names & identifiers

Preferred name: 5H-Dibenzo(a,d)cycloheptene-5-propylamine, 10,11-dihydro-N,N,3-trimethyl-, monohydrochloride
IUPAC: dimethyl-[3-(5-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)propyl]azanium chloride

Names & synonyms

VUFB3111N,N,3-Trimethyl-10,11-dihydro-5H-dibenzo(a,d)cycloheptene-5-propylamine hydrochloride5H-Dibenzo(a,d)cycloheptene-5-propylamine, 10,11-dihydro-N,N,3-trimethyl-, monohydrochloride68263-44-5RefChem:305589

Database identifiers

CAS: 68263-44-5
PubChem CID: 50128

Properties

Computed structural properties

Topological polar surface area: 4.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 4
Heavy atoms: 23
Formal charge: 0
Complexity: 337

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