- InChI
- InChI=1S/C6H7N5/c1-11-3-10-6-4(11)5(7)8-2-9-6/h2-3H,1H3,(H2,7,8,9)
- InChI Key
- HCGHYQLFMPXSDU-UHFFFAOYSA-N
- Formula
- C6H7N5
- SMILES
- Cn1cnc2ncnc(N)c21
- Molecular Weight1
- 149.15
- CAS
- 935-69-3
- Other Names
-
- Adenine, 7-methyl-
- N7-Methyladenine
- 6-Amino-7-methylpurine
- 7-Methyladenine
- 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 | 0.5603 | Relay (... Calculated Property | |
| ΔfG° | 385.68 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 258.68 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 80.54 | kJ/mol | Relay (... Calculated Property |
| IE | 8.64 | eV | NIST |
| log10WS | -2.02 | Relay (... Calculated Property | |
| logPoct/wat | -0.054 | Crippen Calculated Property | |
| McVol | 106.380 | ml/mol | McGowan Calculated Property |
| Pc | 5324.56 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 589.04 | K | Relay (... Calculated Property |
| Tc | 914.37 | K | Relay (... Calculated Property |
| Tfus | 516.50 | K | Relay (... Calculated Property |
| Vc | 0.412 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 7H-Purin-6-amine, 7-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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