- InChI
- InChI=1S/C7H10N6/c1-13(2)7-11-5(8)4-6(12-7)10-3-9-4/h3H,1-2H3,(H3,8,9,10,11,12)
- InChI Key
- ZMIYNNVNJUDTED-UHFFFAOYSA-N
- Formula
- C7H10N6
- SMILES
- CN(C)c1nc(N)c2[nH]cnc2n1
- Molecular Weight1
- 178.19
- CAS
- 5434-23-1
- 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 | 0.6327 | Relay (1.0) Calculated Property | |
| ΔfG° | 431.98 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 227.23 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 103.53 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.04 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.80 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.481 | Crippen Calculated Property | |
| McVol | 130.450 | ml/mol | McGowan Calculated Property |
| Pc | 4738.71 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 609.20 | K | Relay (1.0) Calculated Property |
| Tc | 944.63 | K | Relay (1.0) Calculated Property |
| Tfus | 527.08 | K | Relay (1.0) Calculated Property |
| Vc | 0.509 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Purine, 6-amino-2-dimethylamino-.
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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