- InChI
- InChI=1S/C10H17N5O2/c1-6(16)11-7-12-8(15-10(2,3)4)14-9(13-7)17-5/h1-5H3,(H2,11,12,13,14,15,16)
- InChI Key
- ZYRYLSPHDLCOKO-UHFFFAOYSA-N
- Formula
- C10H17N5O2
- SMILES
- COc1nc(NC(C)=O)nc(NC(C)(C)C)n1
- Molecular Weight1
- 239.27
- Other Names
-
- 2-Acetylamino-4-tert-butylamino-6-methoxy-1,3,5-triazine
- 6-Methoxy-N-(2-methyl-2-propanyl)-N'-acetyl-1,3,5-triazin-2,4-diamin
- 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 | 0.6871 | Relay (1.0) Calculated Property | |
| ΔfG° | 211.25 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -341.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 103.33 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.37 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.15 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.049 | Crippen Calculated Property | |
| McVol | 185.340 | ml/mol | McGowan Calculated Property |
| Pc | 2667.86 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2002.00; 2002.00] |
|
|
| Inp | 2002.00 | NIST | |
| Inp | 2002.00 | NIST | |
| Tboil | 543.10 | K | Relay (1.0) Calculated Property |
| Tc | 853.97 | K | Relay (1.0) Calculated Property |
| Tfus | 447.38 | K | Relay (1.0) Calculated Property |
| Vc | 0.689 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to N-tert-Butyl-N'-acetyl-6-methoxy-1,3,5-triazine-2,4-diamine.
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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