- InChI
- InChI=1S/C4H5N3/c5-4-1-2-6-3-7-4/h1-3H,(H2,5,6,7)
- InChI Key
- OYRRZWATULMEPF-UHFFFAOYSA-N
- Formula
- C4H5N3
- SMILES
- Nc1ccncn1
- Molecular Weight1
- 95.10
- CAS
- 591-54-8
- Other Names
-
- Pyrimidine, 4-amino-
- 4-Pyrimidinamine
- 3,4-Dihydro-4-iminopyrimidine
- 6-Aminopyrimidine
- Pyrimidin-4-ylamine
- 4-Pyrimidineamine
- 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 | 0.4354 | Relay (1.0) Calculated Property | |
| ΔfG° | 275.37 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 153.13 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 62.65 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.11 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.01 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.059 | Crippen Calculated Property | |
| McVol | 73.400 | ml/mol | McGowan Calculated Property |
| Pc | 5897.10 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 493.99 | K | Relay (1.0) Calculated Property |
| Tc | 769.43 | K | Relay (1.0) Calculated Property |
| Tfus | 399.30 | K | Relay (1.0) Calculated Property |
| Vc | 0.258 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 4-Aminopyrimidine.
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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