![Ethanol, 2-[(6-amino-2-chloro-5-nitro-4-pyrimidinyl)amino]-](/cid/60-881-7/Ethanol-2-6-amino-2-chloro-5-nitro-4-pyrimidinyl-amino.png "Ethanol, 2-[(6-amino-2-chloro-5-nitro-4-pyrimidinyl)amino]-")
- InChI
- InChI=1S/C6H8ClN5O3/c7-6-10-4(8)3(12(14)15)5(11-6)9-1-2-13/h13H,1-2H2,(H3,8,9,10,11)
- InChI Key
- VJHSQGXRHONOAO-UHFFFAOYSA-N
- Formula
- C6H8ClN5O3
- SMILES
-
Nc1nc(Cl)nc(NCCO)c1[N+](=O)[O-
] - Molecular Weight1
- 233.61
- 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 | 0.9126 | Relay (1.0) Calculated Property | |
| ΔfG° | 239.92 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -115.03 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 104.04 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.89 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.56 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.025 | Crippen Calculated Property | |
| McVol | 147.090 | ml/mol | McGowan Calculated Property |
| Pc | 4071.65 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 610.00 | K | Relay (1.0) Calculated Property |
| Tc | 973.13 | K | Relay (1.0) Calculated Property |
| Tfus | 478.73 | K | Relay (1.0) Calculated Property |
| Vc | 0.496 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Ethanol, 2-[(6-amino-2-chloro-5-nitro-4-pyrimidinyl)amino]-.
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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