9H-Purine-6-carbonitrile

CAS Registry Number®

2036-13-7

CAS Name

9H-Purine-6-carbonitrile

Molecular Formula

C6H3N5

Molecular Mass

145.12

Cite this Page

9H-Purine-6-carbonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2036-13-7 (retrieved 2024-11-24) (CAS RN: 2036-13-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    177-178 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C6H3N5/c7-1-4-5-6(10-2-8-4)11-3-9-5/h2-3H,(H,8,9,10,11)

InChIKey

InChIKey=NHYQQYMSESLQDX-UHFFFAOYSA-N

SMILES

C(#N)C1=C2C(N=CN2)=NC=N1

Canonical SMILES

N#CC1=NC=NC=2N=CNC12

Other Names for this Substance

  • 9H-Purine-6-carbonitrile
  • Purine-6-carbonitrile
  • 1H-Purine-6-carbonitrile
  • 6-Cyanopurine
  • NSC 21625

Deleted or Replaced CAS Registry Numbers

2365-41-5