5H-Benzocycloheptene-9-acetic acid, 6,7-dihydro-, 2-(dimethylamino)ethyl ester, hydrochloride

HCID 38484

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Basic information

CAS: 40494-43-7
Standard SMILES: C[NH+](C)CCOC(=O)Cc1ccc2c(c1)C=CCCC2.[Cl-]
InChIKey: UYADWAGJOZXMIS-UHFFFAOYSA-N
Molecular formula: C17H24ClNO2
Average molar mass: 309.8 g/mol
Monoisotopic mass: 309.1495567

Names & identifiers

Preferred name: 5H-Benzocycloheptene-9-acetic acid, 6,7-dihydro-, 2-(dimethylamino)ethyl ester, hydrochloride
IUPAC: 2-[2-(8,9-dihydro-7H-benzo[7]annulen-3-yl)acetyl]oxyethyl-dimethylazanium chloride

Names & synonyms

5H-Benzocycloheptene-9-acetic acid, 6,7-dihydro-, 2-(dimethylamino)ethyl ester, hydrochloride40494-43-76,7-Dihydro-5H-benzocycloheptene-9-acetic acid 2-(dimethylamino)ethyl ester hydrochlorideRefChem:305379

Database identifiers

CAS: 40494-43-7
PubChem CID: 38484

Properties

Computed structural properties

Topological polar surface area: 30.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 6
Heavy atoms: 21
Formal charge: 0
Complexity: 338

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