N-Nitrosonornicotine

CAS Registry Number®

16543-55-8

CAS Name

N-Nitrosonornicotine

Molecular Formula

C9H11N3O

Molecular Mass

177.20

Cite this Page

N-Nitrosonornicotine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=16543-55-8 (retrieved 2024-11-22) (CAS RN: 16543-55-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    154 °C @ Press: 0.2 Torr

  • Melting Point (1)

    47 °C

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1S/C9H11N3O/c13-11-12-6-2-4-9(12)8-3-1-5-10-7-8/h1,3,5,7,9H,2,4,6H2/t9-/m0/s1

InChIKey

InChIKey=XKABJYQDMJTNGQ-VIFPVBQESA-N

SMILES

N(=O)N1[C@@H](CCC1)C=2C=CC=NC2

Canonical SMILES

O=NN1CCCC1C=2C=NC=CC2

Other Names for this Substance

  • Pyridine, 3-[(2S)-1-nitroso-2-pyrrolidinyl]-
  • Nicotine, 1′-demethyl-1′-nitroso-
  • Pyridine, 3-(1-nitroso-2-pyrrolidinyl)-, (S)-
  • Nornicotine, N-nitroso-
  • 3-[(2S)-1-Nitroso-2-pyrrolidinyl]pyridine

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Deleted or Replaced CAS Registry Numbers

53759-22-1, 64162-58-9, 64162-57-8

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