Xanthine

CAS Registry Number®

69-89-6

CAS Name

Xanthine

Molecular Formula

C5H4N4O2

Molecular Mass

152.11

Cite this Page

Xanthine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=6050-36-8 (retrieved 2024-11-22) (CAS RN: 69-89-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    345 °C (decomp)

  • Density (2)

    1.62 g/cm³ (crystalline) @ Temp: 19.9 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11)

InChIKey

InChIKey=LRFVTYWOQMYALW-UHFFFAOYSA-N

SMILES

O=C1C2=C(NC(=O)N1)N=CN2

Canonical SMILES

O=C1NC(=O)C=2NC=NC2N1

Other Names for this Substance

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

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Deleted or Replaced CAS Registry Numbers

6050-36-8, 6053-41-4, 16819-86-6, 28522-58-9, 33669-67-9, 42911-15-9, 51953-26-5

CAS INSIGHTSTM
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