6-Chloro-8-(1-methylethyl)-9H-purine

CAS Registry Number®

92001-54-2
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CAS Name

6-Chloro-8-(1-methylethyl)-9H-purine

Molecular Formula

C8H9ClN4

Molecular Mass

196.64

Cite this Page

6-Chloro-8-(1-methylethyl)-9H-purine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=92001-54-2 (retrieved 2024-05-02) (CAS RN: 92001-54-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    172-174 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H9ClN4/c1-4(2)7-12-5-6(9)10-3-11-8(5)13-7/h3-4H,1-2H3,(H,10,11,12,13)

InChIKey

InChIKey=CCXLFOMHQCRYGT-UHFFFAOYSA-N

SMILES

ClC1=C2C(N=C(C(C)C)N2)=NC=N1

Canonical SMILES

ClC1=NC=NC=2N=C(NC12)C(C)C

Other Names for this Substance

  • 9H-Purine, 6-chloro-8-(1-methylethyl)-
  • 1H-Purine, 6-chloro-8-(1-methylethyl)-
  • 6-Chloro-8-(1-methylethyl)-9H-purine

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