- InChI
- InChI=1S/C15H21N3O3/c1-15-7-8-17(3)21-13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)
- InChI Key
- CNBHDDBNEKKMJH-UHFFFAOYSA-N
- Formula
- C15H21N3O3
- SMILES
-
CNC(=O)Oc1ccc2c(c1)C1(C)CCN(C)
OC1N2C - Molecular Weight1
- 291.35
- CAS
- 25573-43-7
- Other Names
-
- 1,2-Oxazino[6,5-b]indol-6-ol, 2,3,4,4a,9,9a-hexahydro-2,4a,9-trimethyl-, methylcarbamate, (4aS-cis)-
- Eserine aminoxide
- Eserine oxide
- Geneserine
- 1,2-Oxazino(6,5-b)indol-6-ol, 2,3,4,4a,9,9a-hexahydro-2,4a,9-trimethyl-, methylcarbamate (ester), (4aS-cis)-
- (4aS,9aS)-2,3,4,4a,9,9a-Hexahydro-2,4a,9-trimethyl-1,2-oxazino[6,5-b]indol-6-ylmethylcarbamate
- Physostigmine aminoxide
- 2,4a,9-Trimethyl-2,3,4,4a,9,9a-hexahydro[1,2]oxazino[6,5-b]indol-6-yl methylcarbamate, (4aS-cis)-
- NSC 340071
- 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 | 0.7596 | Relay (1.0) Calculated Property | |
| ΔfG° | 51.44 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -341.39 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 103.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.15 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.34 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.706 | Crippen Calculated Property | |
| McVol | 219.980 | ml/mol | McGowan Calculated Property |
| Pc | 2044.47 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 614.57 | K | Relay (1.0) Calculated Property |
| Tc | 924.92 | K | Relay (1.0) Calculated Property |
| Tfus | 394.94 | K | Relay (1.0) Calculated Property |
| Vc | 0.812 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Eseridine.
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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