5H-Dibenzo(a,d)cycloheptene-5-propylamine, N,N-dimethyl-, monohydrobromide

HCID 50130

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Basic information

CAS: 68263-45-6
Standard SMILES: C[NH+](C)CCCC1c2ccccc2C=Cc2ccccc21.[Br-]
InChIKey: HEYVAMBZLRUUFG-UHFFFAOYSA-N
Molecular formula: C20H24BrN
Average molar mass: 358.3 g/mol
Monoisotopic mass: 357.10921

Names & identifiers

Preferred name: 5H-Dibenzo(a,d)cycloheptene-5-propylamine, N,N-dimethyl-, monohydrobromide
IUPAC: dimethyl-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)propyl]azanium bromide

Names & synonyms

VUFB3128N,N-Dimethyl-5H-dibenzo(a,d)cycloheptene-5-propylamine hydrobromide68263-45-65H-DIBENZO(a,d)CYCLOHEPTENE-5-PROPYLAMINE, N,N-DIMETHYL-, MONOHYDROBROMIDERefChem:305592

Database identifiers

CAS: 68263-45-6
PubChem CID: 50130

Properties

Computed structural properties

Topological polar surface area: 4.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 4
Heavy atoms: 22
Formal charge: 0
Complexity: 320

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