![Pyrimidine, 2-amino-4-(butylamino)-6-chloro-5-[(p-chlorophenyl)azo]-](/cid/30-891-9/Pyrimidine-2-amino-4-butylamino-6-chloro-5-p-chlorophenyl-azo.png "Pyrimidine, 2-amino-4-(butylamino)-6-chloro-5-[(p-chlorophenyl)azo]-")
- InChI
- InChI=1S/C14H16Cl2N6/c1-2-3-8-18-13-11(12(16)19-14(17)20-13)22-21-10-6-4-9(15)5-7-10/h4-7H,2-3,8H2,1H3,(H3,17,18,19,20)/b22-21+
- InChI Key
- VAKCXRYHWPKWFC-QURGRASLSA-N
- Formula
- C14H16Cl2N6
- SMILES
-
CCCCNc1nc(N)nc(Cl)c1N=Nc1ccc(C
l)cc1 - Molecular Weight1
- 339.22
- CAS
- 92298-20-9
- 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 | 0.9050 | Relay (... Calculated Property | |
| ΔfG° | 507.75 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 256.69 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 116.91 | kJ/mol | Relay (... Calculated Property |
| IE | 7.98 | eV | Relay (... Calculated Property |
| log10WS | -5.92 | Relay (... Calculated Property | |
| logPoct/wat | 4.993 | Crippen Calculated Property | |
| McVol | 240.660 | ml/mol | McGowan Calculated Property |
| Pc | 2419.77 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 662.38 | K | Relay (... Calculated Property |
| Tc | 1004.32 | K | Relay (... Calculated Property |
| Tfus | 417.96 | K | Relay (... Calculated Property |
| Vc | 0.843 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Pyrimidine, 2-amino-4-(butylamino)-6-chloro-5-[(p-chlorophenyl)azo]-.
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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