Isocytosine
Synonym(s):2-Amino-4-hydroxypyrimidine;2-Aminouracil
- CAS NO.：108-53-2
- Empirical Formula: C4H5N3O
- Molecular Weight: 111.1
- MDL number: MFCD00057557
- EINECS: 203-592-0
- SAFETY DATA SHEET (SDS)
- Update Date: 2026-01-13 11:27:04
What is Isocytosine?
Description
Isocytosine (2-aminouracil) is a non-natural nucleobase and an isomer of one of the four main bases in DNA and RNA. It pairs in a “reversed Watson–Crick” manner with natural guanine or in a normal manner with non-natural isoguanine. In aqueous solution, it exists as two tautomers, the one shown and the other with a proton on the ring nitrogen opposite the carbonyl group.
Chemical properties
White to Off-White Solid
The Uses of Isocytosine
Isocytosine is a useful intermediate for chemical modifications of base and sugar moieties in natural nucleosides
The Uses of Isocytosine
Isocytosine (2-aminouracil) is an isomer of cytosine used in physical chemical studies involving metal complex binding, hydrogen-bonding, and tautomerism and proton transfer effects in nucleobases.
Definition
ChEBI: An aminopyrimidine in which the pyrimidine ring bears amino and hydroxy substituents at positions 2 and 4, respectively.
Properties of Isocytosine
| Melting point: | 275°C |
| Density | 1.55±0.1 g/cm3(Predicted) |
| storage temp. | Keep in dark place,Inert atmosphere,Room temperature |
| solubility | DMSO (Slightly) |
| pka | 9.59±0.40(Predicted) |
| form | Crystalline Powder |
| color | White to off-white |
| Water Solubility | Soluble in DMF, DMSO, hot water, and AcOH. |
| CAS DataBase Reference | 108-53-2(CAS DataBase Reference) |
Safety information for Isocytosine
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H319:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P337+P313:IF eye irritation persists: Get medical advice/attention. |
Computed Descriptors for Isocytosine
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