- InChI
- InChI=1S/C14H13N5O/c20-13-11-12(16-14(17-13)18-6-7-18)19(9-15-11)8-10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H,16,17,20)
- InChI Key
- GGQAXKDKAATTBW-UHFFFAOYSA-N
- Formula
- C14H13N5O
- SMILES
-
O=c1[nH]c(N2CC2)nc2c1ncn2Cc1cc
ccc1 - Molecular Weight1
- 267.29
- CAS
- 6311-27-9
- 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 | 0.7368 | Relay (1.0) Calculated Property | |
| ΔfG° | 429.24 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 270.96 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 130.84 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.21 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.72 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.506 | Crippen Calculated Property | |
| McVol | 190.350 | ml/mol | McGowan Calculated Property |
| Pc | 3477.91 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 693.01 | K | Relay (1.0) Calculated Property |
| Tc | 1060.21 | K | Relay (1.0) Calculated Property |
| Tfus | 522.46 | K | Relay (1.0) Calculated Property |
| Vc | 0.753 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Hypoxanthine, 2-(1-aziridinyl)-9-benzyl-.
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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