5H-Dibenzo(a,d)cyclohepten-5-ol, 5-(2-amino-1-methylethyl)-, hydrochloride

HCID 54091

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Basic information

CAS: 78110-13-1
Standard SMILES: CC(C[NH3+])C1(O)c2ccccc2C=Cc2ccccc21.[Cl-]
InChIKey: KIPQBGYEVQIESE-UHFFFAOYSA-N
Molecular formula: C18H20ClNO
Average molar mass: 301.8 g/mol
Monoisotopic mass: 301.123342

Names & identifiers

Preferred name: 5H-Dibenzo(a,d)cyclohepten-5-ol, 5-(2-amino-1-methylethyl)-, hydrochloride
IUPAC: 2-(2-hydroxy-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)propylazanium chloride

Names & synonyms

5-(2-Amino-1-methylethyl)-5H-dibenzo(a,d)cyclohepten-5-ol hydrochloride5H-DIBENZO(a,d)CYCLOHEPTEN-5-OL, 5-(2-AMINO-1-METHYLETHYL)-, HYDROCHLORIDE78110-13-1RefChem:305532

Database identifiers

CAS: 78110-13-1
PubChem CID: 54091

Properties

Computed structural properties

Topological polar surface area: 47.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 21
Formal charge: 0
Complexity: 338

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