7-Methylxanthine

CAS Registry Number®

552-62-5

CAS Name

7-Methylxanthine

Molecular Formula

C6H6N4O2

Molecular Mass

166.14

Cite this Page

7-Methylxanthine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=552-62-5 (retrieved 2024-11-23) (CAS RN: 552-62-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    >300 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C6H6N4O2/c1-10-2-7-4-3(10)5(11)9-6(12)8-4/h2H,1H3,(H2,8,9,11,12)

InChIKey

InChIKey=PFWLFWPASULGAN-UHFFFAOYSA-N

SMILES

O=C1C2=C(NC(=O)N1)N=CN2C

Canonical SMILES

O=C1NC(=O)C2=C(N=CN2C)N1

Other Names for this Substance

  • 1H-Purine-2,6-dione, 3,7-dihydro-7-methyl-
  • Heteroxanthine
  • 3,7-Dihydro-7-methyl-1H-purine-2,6-dione
  • 7-Methylxanthine
  • NSC 7861

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