1-(2H-Tetrazol-5-yl)-2-propanone

CAS Registry Number®

13616-38-1

CAS Name

1-(2H-Tetrazol-5-yl)-2-propanone

Molecular Formula

C4H6N4O

Molecular Mass

126.12

Cite this Page

1-(2H-Tetrazol-5-yl)-2-propanone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=13616-38-1 (retrieved 2024-11-26) (CAS RN: 13616-38-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    114 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C4H6N4O/c1-3(9)2-4-5-7-8-6-4/h2H2,1H3,(H,5,6,7,8)

InChIKey

InChIKey=FJBVDSVGSWVSHR-UHFFFAOYSA-N

SMILES

C(C(C)=O)C=1NN=NN1

Canonical SMILES

O=C(C)CC1=NN=NN1

Other Names for this Substance

  • 2-Propanone, 1-(2H-tetrazol-5-yl)-
  • 2-Propanone, 1-(1H-tetrazol-5-yl)-
  • 1-(2H-Tetrazol-5-yl)-2-propanone
  • 1-(1H-1,2,3,4-Tetrazol-5-yl)propan-2-one
  • 1-(2H-1,2,3,4-Tetrazol-5-yl)propan-2-one

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