![2-Pyridinecarbamic acid, 5,6-diamino-4-[(diphenylmethyl)amino]-, ethyl ester](/cid/64-074-9/2-Pyridinecarbamic-acid-5-6-diamino-4-diphenylmethyl-amino-ethyl-ester.png "2-Pyridinecarbamic acid, 5,6-diamino-4-[(diphenylmethyl)amino]-, ethyl ester")
- InChI
- InChI=1S/C21H23N5O2/c1-2-28-21(27)26-17-13-16(18(22)20(23)25-17)24-19(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,19H,2,22H2,1H3,(H4,23,24,25,26,27)
- InChI Key
- ZJIORQLFVKLQEZ-UHFFFAOYSA-N
- Formula
- C21H23N5O2
- SMILES
-
CCOC(=O)Nc1cc(NC(c2ccccc2)c2cc
ccc2)c(N)c(N)n1 - Molecular Weight1
- 377.44
- CAS
- 38359-68-1
- 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 | 0.9610 | Relay (1.0) Calculated Property | |
| ΔfG° | 371.96 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -100.12 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 153.39 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.18 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.05 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.016 | Crippen Calculated Property | |
| McVol | 292.810 | ml/mol | McGowan Calculated Property |
| Pc | 2272.79 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 733.66 | K | Relay (1.0) Calculated Property |
| Tc | 1158.23 | K | Relay (1.0) Calculated Property |
| Tfus | 476.57 | K | Relay (1.0) Calculated Property |
| Vc | 0.998 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
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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