- InChI
- InChI=1S/C9H9N5/c10-8-12-7(13-9(11)14-8)6-4-2-1-3-5-6/h1-5H,(H4,10,11,12,13,14)
- InChI Key
- GZVHEAJQGPRDLQ-UHFFFAOYSA-N
- Formula
- C9H9N5
- SMILES
- Nc1nc(N)nc(-c2ccccc2)n1
- Molecular Weight1
- 187.20
- CAS
- 91-76-9
- Other Names
-
- s-Triazine, 2,4-diamino-6-phenyl-
- Benzoguanamine
- Benzoguanimine
- ENT 60118
- 2,4-Diamino-6-phenyl-s-triazine
- 2,4-Diamino-6-phenyl-1,3,5-triazine
- 2,6-Diamino-4-phenyl-1,3,5-triazine
- 6-Phenyl-1,3,5-triazine-2,4-diamine
- USAF RH-5
- 2-Phenyl-4,6-diamino-s-triazine
- 2-Phenyl-4,6-diamino-1,3,5-triazine
- 4,6-Diamino-2-phenyl-s-triazine
- NSC 3267
- 6-phenyl-1,3,5-triazine-2,4-diyldiamine
- 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 | 0.6327 | Relay (1.0) Calculated Property | |
| ΔfG° | 469.88 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 199.75 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 118.74 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.72 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.47 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.703 | Crippen Calculated Property | |
| McVol | 140.050 | ml/mol | McGowan Calculated Property |
| Pc | 4883.89 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 593.12 | K | Relay (1.0) Calculated Property |
| Tc | 945.76 | K | Relay (1.0) Calculated Property |
| Tfus | 480.75 | K | Relay (1.0) Calculated Property |
| Vc | 0.520 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 1,3,5-Triazine-2,4-diamine, 6-phenyl-.
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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