- InChI
- InChI=1S/C11H18N6/c1-4-5-6-12-11-15-9-8(13-7-14-9)10(16-11)17(2)3/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)
- InChI Key
- JHXLGYKRRFKGGQ-UHFFFAOYSA-N
- Formula
- C11H18N6
- SMILES
- CCCCNc1nc(N(C)C)c2[nH]cnc2n1
- Molecular Weight1
- 234.30
- CAS
- 5463-10-5
- 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 | 0.7221 | Relay (1.0) Calculated Property | |
| ΔfG° | 447.89 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 148.80 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 110.62 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.86 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.08 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.149 | Crippen Calculated Property | |
| McVol | 186.810 | ml/mol | McGowan Calculated Property |
| Pc | 3107.78 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 623.72 | K | Relay (1.0) Calculated Property |
| Tc | 930.20 | K | Relay (1.0) Calculated Property |
| Tfus | 445.11 | K | Relay (1.0) Calculated Property |
| Vc | 0.709 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Purine, 2-(n-butylamino)-6-(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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