3,9-Dimethylxanthine

CAS Registry Number®

15837-08-8

CAS Name

3,9-Dimethylxanthine

Molecular Formula

C7H8N4O2

Molecular Mass

180.16

Cite this Page

3,9-Dimethylxanthine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=15837-08-8 (retrieved 2024-11-28) (CAS RN: 15837-08-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    350 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C7H8N4O2/c1-10-3-8-4-5(12)9-7(13)11(2)6(4)10/h3H,1-2H3,(H,9,12,13)

InChIKey

InChIKey=HEOWZFHIJSYJIC-UHFFFAOYSA-N

SMILES

CN1C2=C(C(=O)NC1=O)N=CN2C

Canonical SMILES

O=C1NC(=O)N(C2=C1N=CN2C)C

Other Names for this Substance

  • 1H-Purine-2,6-dione, 3,9-dihydro-3,9-dimethyl-
  • Xanthine, 3,9-dimethyl-
  • 3,9-Dihydro-3,9-dimethyl-1H-purine-2,6-dione
  • 3,9-Dimethylxanthine
  • 3,9-Dimethyl-1H-purine-2,6(3H,9H)-dione

CAS INSIGHTSTM
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