- InChI
- InChI=1S/C4H5N3O/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8)
- InChI Key
- OPTASPLRGRRNAP-UHFFFAOYSA-N
- Formula
- C4H5N3O
- SMILES
- Nc1cc[nH]c(=O)n1
- Molecular Weight1
- 111.10
- Other Names
-
- 2(1H)-pyrimidinone, 4-amino-
- 4-amino-2(1H)-pyrimidinone
- cytosine
- cytosinimine
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.5195 | Relay (... Calculated Property | |
| ΔfG° | 106.50 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -126.28 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 96.28 | kJ/mol | Relay (... Calculated Property |
| IE | 8.79 | eV | Relay (... Calculated Property |
| log10WS | -1.15 | Relay (... Calculated Property | |
| logPoct/wat | -1.130 | Crippen Calculated Property | |
| McVol | 79.270 | ml/mol | McGowan Calculated Property |
| Pc | 5512.78 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 573.49 | K | Relay (... Calculated Property |
| Tc | 805.78 | K | Relay (... Calculated Property |
| Tfus | 454.59 | K | Relay (... Calculated Property |
| Vc | 0.275 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 4-amino-2-hydroxypyrimidine.
Mixtures
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) ⚠️ Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Volumetric interaction coefficients for some nucleosides in aqueous solution at T= 298.15 K
- Volumetric studies on nucleic acid bases and nucleosides in aqueous guanidine hydrochloride solutions at T = (288.15 to 318.15) K and at atmospheric pressure
- Solvation behavior of some nucleic acid bases and nucleosides in water and in aqueous guanidine hydrochloride solutions: Viscometric, calorimetric and spectroscopic approach
- McGowan Method
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