Isocytosine

CAS Registry Number®

108-53-2

CAS Name

Isocytosine

Molecular Formula

C4H5N3O

Molecular Mass

111.10

Cite this Page

Isocytosine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=108-53-2 (retrieved 2025-03-30) (CAS RN: 108-53-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    278-279 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C4H5N3O/c5-4-6-2-1-3(8)7-4/h1-2H,(H3,5,6,7,8)

InChIKey

InChIKey=XQCZBXHVTFVIFE-UHFFFAOYSA-N

SMILES

O=C1NC(N)=NC=C1

Canonical SMILES

O=C1C=CN=C(N)N1

Other Names for this Substance

  • 4(1H)-Pyrimidinone, 2-amino-
  • Isocytosine
  • 2-Amino-4(1H)-pyrimidinone
  • 2-Amino-4-pyrimidone
  • 2-Amino-4-pyrimidinol

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Deleted or Replaced CAS Registry Numbers

100643-26-3, 107646-86-6, 131285-40-0, 674-97-5, 823-21-2, 176772-97-7

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