![2-Pyridinecarbamic acid, 6-amino-4-[[2-hydroxy-3-(methylphenylamino)propyl]amino]-5-nitro-, ethyl ester](/cid/73-865-1/2-Pyridinecarbamic-acid-6-amino-4-2-hydroxy-3-methylphenylamino-propyl-amino-5-nitro-ethyl-ester.png "2-Pyridinecarbamic acid, 6-amino-4-[[2-hydroxy-3-(methylphenylamino)propyl]amino]-5-nitro-, ethyl ester")
- InChI
- InChI=1S/C18H24N6O5/c1-3-29-18(26)22-15-9-14(16(24(27)28)17(19)21-15)20-10-13(25)11-23(2)12-7-5-4-6-8-12/h4-9,13,25H,3,10-11H2,1-2H3,(H4,19,20,21,22,26)
- InChI Key
- FBNXSOAJCFNWFD-UHFFFAOYSA-N
- Formula
- C18H24N6O5
- SMILES
-
CCOC(=O)Nc1cc(NCC(O)CN(C)c2ccc
cc2)c([N+](=O)[O-])c(N)n1 - Molecular Weight1
- 404.42
- CAS
- 82585-86-2
- 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 | 1.2227 | Relay (1.0) Calculated Property | |
| ΔfG° | 267.42 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -428.99 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 152.16 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.35 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.81 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.050 | Crippen Calculated Property | |
| McVol | 297.590 | ml/mol | McGowan Calculated Property |
| Pc | 1772.62 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 722.86 | K | Relay (1.0) Calculated Property |
| Tc | 1132.62 | K | Relay (1.0) Calculated Property |
| Tfus | 430.20 | K | Relay (1.0) Calculated Property |
| Vc | 1.019 | 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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