Pyrrolidine, 1-(2-(11H-dibenzo(b,e)(1,4)dioxepin-11-yl)ethyl)-, hydrochloride, (+-)-

HCID 3067366

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Basic information

CAS: 81320-33-4
Standard SMILES: Cl.c1ccc2c(c1)Oc1ccccc1C(CCN1CCCC1)O2
InChIKey: CNIQLKJVBBFFOI-UHFFFAOYSA-N
Molecular formula: C19H22ClNO2
Average molar mass: 331.8 g/mol
Monoisotopic mass: 331.1339066

Names & identifiers

Preferred name: Pyrrolidine, 1-(2-(11H-dibenzo(b,e)(1,4)dioxepin-11-yl)ethyl)-, hydrochloride, (+-)-
IUPAC: 1-[2-(6H-benzo[b][1,4]benzodioxepin-6-yl)ethyl]pyrrolidine;hydrochloride

Names & synonyms

(+-)-1-(2-(11H-Dibenzo(b,e)(1,4)dioxepin-11-yl)ethyl)pyrrolidine hydrochloride2-(Dibenzo(b,e) 1,4-dioxepin-11-yl)ethyl 1-pyrrolidine chlorhydrate [French]81320-33-4Pyrrolidine, 1-(2-(11H-dibenzo(b,e)(1,4)dioxepin-11-yl)ethyl)-, hydrochloride, (+-)-2-(Dibenzo(b,e) 1,4-dioxepin-11-yl)ethyl 1-pyrrolidine chlorhydrateRefChem:377964DTXSID9010019211-[2-(11H-Dibenzo[b,e][1,4]dioxepin-11-yl)ethyl]pyrrolidine--hydrogen chloride (1/1)

Database identifiers

CAS: 81320-33-4
PubChem CID: 3067366
DTXSID: DTXSID901001921

Properties

Computed structural properties

Topological polar surface area: 21.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 23
Formal charge: 0
Complexity: 355

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