- InChI
- InChI=1S/C6H6N4O/c1-10-3-9-5-4(6(10)11)7-2-8-5/h2-3H,1H3,(H,7,8)
- InChI Key
- KIQMCGMHGVXDFW-UHFFFAOYSA-N
- Formula
- C6H6N4O
- SMILES
- Cn1cnc2[nH]cnc2c1=O
- Molecular Weight1
- 150.14
- CAS
- 1125-39-9
- Other Names
-
- Hypoxanthine, 1-methyl-
- 1-Methylhypoxanthine
- Purin-6(1H)-one, 1-methyl
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.5302 | Relay (1.0) Calculated Property | |
| ΔfG° | 227.82 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 75.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 88.75 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.71 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.29 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.825 | Crippen Calculated Property | |
| McVol | 102.270 | ml/mol | McGowan Calculated Property |
| Pc | 5548.91 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 1969.00 | NIST | |
| Tboil | 605.02 | K | Relay (1.0) Calculated Property |
| Tc | 885.24 | K | Relay (1.0) Calculated Property |
| Tfus | 571.41 | K | Relay (1.0) Calculated Property |
| Vc | 0.404 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
![1-Methyl-9-[(1e)-1-propenyl]-1,9-dihydro-6h-purin-6-one.](data:image/png;base64,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)
Find more compounds similar to 6H-Purin-6-one, 1,7-dihydro-1-methyl-.
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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