Hydroxycotinine

CAS Registry Number®

34834-67-8
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CAS Name

Hydroxycotinine

Molecular Formula

C10H12N2O2

Molecular Mass

192.21

Cite this Page

Hydroxycotinine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=34834-67-8 (retrieved 2024-04-28) (CAS RN: 34834-67-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    108-110 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C10H12N2O2/c1-12-8(5-9(13)10(12)14)7-3-2-4-11-6-7/h2-4,6,8-9,13H,5H2,1H3/t8-,9+/m0/s1

InChIKey

InChIKey=XOKCJXZZNAUIQN-DTWKUNHWSA-N

SMILES

CN1[C@@H](C[C@@H](O)C1=O)C=2C=CC=NC2

Canonical SMILES

O=C1N(C)C(C=2C=NC=CC2)CC1O

Other Names for this Substance

  • 2-Pyrrolidinone, 3-hydroxy-1-methyl-5-(3-pyridinyl)-, (3R,5S)-
  • 2-Pyrrolidinone, 3-hydroxy-1-methyl-5-(3-pyridinyl)-, (3R-trans)-
  • Cotinine, hydroxy-
  • (3R,5S)-3-Hydroxy-1-methyl-5-(3-pyridinyl)-2-pyrrolidinone
  • trans-1-Methyl-3(R)-hydroxy-5(S)-3-pyridyl-2-pyrrolidinone

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Deleted or Replaced CAS Registry Numbers

108450-02-8, 27323-64-4

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