1-Methylxanthine

CAS Registry Number®

6136-37-4

CAS Name

1-Methylxanthine

Molecular Formula

C6H6N4O2

Molecular Mass

166.14

Cite this Page

1-Methylxanthine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=6136-37-4 (retrieved 2024-11-22) (CAS RN: 6136-37-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    335 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=MVOYJPOZRLFTCP-UHFFFAOYSA-N

SMILES

O=C1C2=C(NC(=O)N1C)N=CN2

Canonical SMILES

O=C1NC=2N=CNC2C(=O)N1C

Other Names for this Substance

  • 1H-Purine-2,6-dione, 3,9-dihydro-1-methyl-
  • Xanthine, 1-methyl-
  • 1H-Purine-2,6-dione, 3,7-dihydro-1-methyl-
  • 3,9-Dihydro-1-methyl-1H-purine-2,6-dione
  • 1-Methylxanthine

View All

CAS INSIGHTSTM
Targeted protein degrader structure, illustration