4-[(Acetoxymethyl)nitrosamino]-1-(3-pyridyl)-1-butanone

CAS Registry Number®

127686-49-1
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CAS Name

4-[(Acetoxymethyl)nitrosamino]-1-(3-pyridyl)-1-butanone

Molecular Formula

C12H15N3O4

Molecular Mass

265.27

Cite this Page

4-[(Acetoxymethyl)nitrosamino]-1-(3-pyridyl)-1-butanone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=127686-49-1 (retrieved 2024-04-27) (CAS RN: 127686-49-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H15N3O4/c1-10(16)19-9-15(14-18)7-3-5-12(17)11-4-2-6-13-8-11/h2,4,6,8H,3,5,7,9H2,1H3

InChIKey

InChIKey=PGOGEOISASKDLL-UHFFFAOYSA-N

SMILES

C(CCCN(COC(C)=O)N=O)(=O)C=1C=CC=NC1

Canonical SMILES

O=NN(COC(=O)C)CCCC(=O)C=1C=NC=CC1

Other Names for this Substance

  • 1-Butanone, 4-[[(acetyloxy)methyl]nitrosoamino]-1-(3-pyridinyl)-
  • 4-[[(Acetyloxy)methyl]nitrosoamino]-1-(3-pyridinyl)-1-butanone
  • 4-[(Acetoxymethyl)nitrosamino]-1-(3-pyridyl)-1-butanone
  • (Nitroso(4-oxo-4-(pyridin-3-yl)butyl)amino)methyl acetate

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