![9H-imidazo[2,1-i]purine, 9-ethyl-7,8-dihydro-](/cid/25-410-8/9H-imidazo-2-1-i-purine-9-ethyl-7-8-dihydro.png "9H-imidazo[2,1-i]purine, 9-ethyl-7,8-dihydro-")
- InChI
- InChI=1S/C9H11N5/c1-2-13-3-4-14-6-12-8-7(9(13)14)10-5-11-8/h5-6H,2-4H2,1H3
- InChI Key
- XEZIACMXBMYRPT-UHFFFAOYSA-N
- Formula
- C9H11N5
- SMILES
- CCN1CCn2cnc3ncnc-3c21
- Molecular Weight1
- 189.22
- CAS
- 93227-13-5
- 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 | 0.5789 | Relay (1.0) Calculated Property | |
| ΔfG° | 410.74 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 282.54 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 77.78 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.22 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.78 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.618 | Crippen Calculated Property | |
| McVol | 137.790 | ml/mol | McGowan Calculated Property |
| Pc | 3956.30 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 601.17 | K | Relay (1.0) Calculated Property |
| Tc | 903.92 | K | Relay (1.0) Calculated Property |
| Tfus | 432.61 | K | Relay (1.0) Calculated Property |
| Vc | 0.551 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 9H-imidazo[2,1-i]purine, 9-ethyl-7,8-dihydro-.
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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