Zetidoline

CAS Registry Number®

51940-78-4

CAS Name

Zetidoline

Molecular Formula

C16H22ClN3O

Molecular Mass

307.82

Cite this Page

Zetidoline.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=51940-78-4 (retrieved 2024-11-22) (CAS RN: 51940-78-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    84 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C16H22ClN3O/c1-16(2)11-18(12-16)6-7-19-8-9-20(15(19)21)14-5-3-4-13(17)10-14/h3-5,10H,6-9,11-12H2,1-2H3

InChIKey

InChIKey=AHDBQMJRRXVRDY-UHFFFAOYSA-N

SMILES

O=C1N(CCN1CCN2CC(C)(C)C2)C3=CC(Cl)=CC=C3

Canonical SMILES

O=C1N(C=2C=CC=C(Cl)C2)CCN1CCN3CC(C)(C)C3

Other Names for this Substance

  • 2-Imidazolidinone, 1-(3-chlorophenyl)-3-[2-(3,3-dimethyl-1-azetidinyl)ethyl]-
  • 1-(3-Chlorophenyl)-3-[2-(3,3-dimethyl-1-azetidinyl)ethyl]-2-imidazolidinone
  • Zetidoline

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