- InChI
- InChI=1S/C3H4N4O2/c4-1-5-2(8)7-3(9)6-1/h(H4,4,5,6,7,8,9)
- InChI Key
- YSKUZVBSHIWEFK-UHFFFAOYSA-N
- Formula
- C3H4N4O2
- SMILES
- Nc1nc(=O)[nH]c(=O)[nH]1
- Molecular Weight1
- 128.09
- CAS
- 645-93-2
- Other Names
-
- Ammelide
- 1,3,5-Triazine-2,4(1H,3H)-dione, 6-amino-
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase 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 | 0.6227 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -1259.00 ± 4.20 | kJ/mol | NIST |
| ΔfG° | 50.61 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -318.88 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | -492.90 ± 4.20 | kJ/mol | NIST |
| ΔvapH° | 118.90 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.87 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.05 | Relay (1.0) Calculated Property | |
| logPoct/wat | -2.923 | Crippen Calculated Property | |
| McVol | 81.030 | ml/mol | McGowan Calculated Property |
| Pc | 6052.34 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 588.94 | K | Relay (1.0) Calculated Property |
| Tc | 864.50 | K | Relay (1.0) Calculated Property |
| Tfus | 582.09 | K | Relay (1.0) Calculated Property |
| Vc | 0.290 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 6-Amino-1,3,5-triazine-2,4(1H,3H)-dione.
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
- McGowan Method
- NIST Webbook
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