2-Chloroadenine

CAS Registry Number®

1839-18-5

CAS Name

2-Chloroadenine

Molecular Formula

C5H4ClN5

Molecular Mass

169.57

Cite this Page

2-Chloroadenine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=31458-56-7 (retrieved 2024-11-08) (CAS RN: 1839-18-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    >300 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C5H4ClN5/c6-5-10-3(7)2-4(11-5)9-1-8-2/h1H,(H3,7,8,9,10,11)

InChIKey

InChIKey=HBJGQJWNMZDFKL-UHFFFAOYSA-N

SMILES

NC1=C2C(=NC(Cl)=N1)N=CN2

Canonical SMILES

ClC1=NC=2N=CNC2C(=N1)N

Other Names for this Substance

  • 9H-Purin-6-amine, 2-chloro-
  • Adenine, 2-chloro-
  • 1H-Purin-6-amine, 2-chloro-
  • 2-Chloro-9H-purin-6-amine
  • 2-Chloroadenine

View All

Deleted or Replaced CAS Registry Numbers

31458-56-7

CAS INSIGHTSTM
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