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Substance Name: 5-Iodocytosine
RN: 1122-44-7
InChIKey: UFVWJVAMULFOMC-UHFFFAOYSA-N

Molecular Formula

  • C4-H4-I-N3-O

Molecular Weight

  • 236.996
 
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Names and Synonyms

Name of Substance

  • 5-Iodocytosine

Synonym

  • 5-Iodocytosine

Systematic Names

  • 4-Amino-5-iodo-2(1H)-pyrimidinone
  • Cytosine, 5-iodo-

Registry Numbers

CAS Registry Number

  • 1122-44-7

System Generated Number

  • 0001122447

Structure Descriptors

InChI

1S/C4H4IN3O/c5-2-1-7-4(9)8-3(2)6/h1H,(H3,6,7,8,9)

InChIKey

UFVWJVAMULFOMC-UHFFFAOYSA-N

Smiles

c1(c(c[nH]c(n1)=O)I)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 50mg/kg (50mg/kg)   Biochemical Pharmacology. Vol. 13, Pg. 1249, 1964.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -0.660 (none)   EST
Water Solubility 950 mg/L 25 EXP
Atmospheric OH Rate Constant 3.42E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.