- InChI
- InChI=1S/C6H7N5/c1-3-4-5(9-2-8-4)11-6(7)10-3/h2H,1H3,(H3,7,8,9,10,11)
- InChI Key
- AFWWNHLDHNSVSD-UHFFFAOYSA-N
- Formula
- C6H7N5
- SMILES
- Cc1nc(N)nc2nc[nH]c12
- Molecular Weight1
- 149.15
- CAS
- 1681-10-3
- Other Names
-
- 6-methyl-1H-purin-2-amine
- 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 | 0.5598 | Relay (1.0) Calculated Property | |
| ΔfG° | 375.45 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 183.72 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 103.70 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.50 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.45 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.238 | Crippen Calculated Property | |
| McVol | 106.380 | ml/mol | McGowan Calculated Property |
| Pc | 5668.08 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 593.96 | K | Relay (1.0) Calculated Property |
| Tc | 918.03 | K | Relay (1.0) Calculated Property |
| Tfus | 539.05 | K | Relay (1.0) Calculated Property |
| Vc | 0.408 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Purine, 2-amino-6-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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