1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-, hydrate (1:1)

CAS Registry Number®

5743-12-4

CAS Name

1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-, hydrate (1:1)

Molecular Formula

C8H10N4O2.H2O

Cite this Page

1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-, hydrate (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5743-12-4 (retrieved 2024-11-21) (CAS RN: 5743-12-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    344-346 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H10N4O2.H2O/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;/h4H,1-3H3;1H2

InChIKey

InChIKey=LCHGOKZNRDAXEK-UHFFFAOYSA-N

SMILES

O=C1C2=C(N(C)C(=O)N1C)N=CN2C.O

Canonical SMILES

O=C1C2=C(N=CN2C)N(C(=O)N1C)C.O

Other Names for this Substance

  • 1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-, hydrate (1:1)
  • Caffeine, monohydrate
  • 1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-, monohydrate

CAS INSIGHTSTM
Targeted protein degrader structure, illustration