- InChI
- InChI=1S/C16H17N3O/c1-11-10-15(13-8-9-13)18-16(17-11)19(12(2)20)14-6-4-3-5-7-14/h3-7,10,13H,8-9H2,1-2H3
- InChI Key
- YNIZVZRQLSYJKQ-UHFFFAOYSA-N
- Formula
- C16H17N3O
- SMILES
-
CC(=O)N(c1ccccc1)c1nc(C)cc(C2C
C2)n1 - Molecular Weight1
- 267.33
- Other Names
-
- 2-Pyrimidinamine, 4-cyclopropyl-6-methyl-N-acetyl-N-phenyl-
- Cyprodinil acetate
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.6802 | Relay (... Calculated Property | |
| ΔfG° | 333.85 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 55.35 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 93.67 | kJ/mol | Relay (... Calculated Property |
| IE | 8.21 | eV | Relay (... Calculated Property |
| log10WS | -3.79 | Relay (... Calculated Property | |
| logPoct/wat | 3.347 | Crippen Calculated Property | |
| McVol | 209.430 | ml/mol | McGowan Calculated Property |
| Pc | 2512.70 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 2178.00 | NIST | |
| Tboil | 627.73 | K | Relay (... Calculated Property |
| Tc | 949.25 | K | Relay (... Calculated Property |
| Tfus | 388.02 | K | Relay (... Calculated Property |
| Vc | 0.795 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 4-Cyclopropyl-6-methyl-N-acetyl-N-phenylpyrimidin-2-amine.
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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