- InChI
- InChI=1S/C3H5N5O/c4-1-6-2(5)8-3(9)7-1/h(H5,4,5,6,7,8,9)
- InChI Key
- MASBWURJQFFLOO-UHFFFAOYSA-N
- Formula
- C3H5N5O
- SMILES
- Nc1nc(N)[nH]c(=O)n1
- Molecular Weight1
- 127.10
- CAS
- 645-92-1
- Other Names
-
- s-Triazin-2-ol, 4,6-diamino-
- Ammelin
- Ammeline
- 2,4-Diamino-1,3,5-triazin-6-one
- 4,6-Diamino-1,3,5-triazin-2(1H)-one
- 4,6-Diamino-1,3,5-triazin-2-ol
- Ammeline, (4,6-diamino-5-triazin-2-ol)
- 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 | 0.6389 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -1595.00 ± 2.00 | kJ/mol | NIST |
| ΔfG° | 231.43 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -140.58 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | -300.00 ± 2.00 | kJ/mol | NIST |
| ΔvapH° | 119.54 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.86 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.61 | Relay (1.0) Calculated Property | |
| logPoct/wat | -2.153 | Crippen Calculated Property | |
| McVol | 85.140 | ml/mol | McGowan Calculated Property |
| Pc | 5769.16 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 582.35 | K | Relay (1.0) Calculated Property |
| Tc | 888.57 | K | Relay (1.0) Calculated Property |
| Tfus | 556.65 | K | Relay (1.0) Calculated Property |
| Vc | 0.308 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 1,3,5-Triazin-2(1H)-one, 4,6-diamino-.
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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