- InChI
- InChI=1S/C13H19N5O/c1-10(7-19-4)5-6-17(2)12-11-13(15-8-14-12)18(3)9-16-11/h5,8-9H,6-7H2,1-4H3/b10-5+
- InChI Key
- DPZJINNFLYQJJE-BJMVGYQFSA-N
- Formula
- C13H19N5O
- SMILES
- COCC(C)=CCN(C)c1ncnc2c1ncn2C
- Molecular Weight1
- 261.32
- CAS
- 62747-81-3
- Other Names
-
- N-[(2E)-4-Methoxy-3-methyl-2-butenyl]-N,9-dimethyl-9H-purin-6-amine
- trans-Zeatin, permethylated
- 9H-Purin-6-amine, N-(4-methoxy-3-methyl-2-butenyl)-N,9-dimethyl-, (E)-
- trans-Zeatin, N,9-dimethyl-, methyl ether
- 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 | 0.6626 | Relay (1.0) Calculated Property | |
| ΔfG° | 415.79 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 133.28 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 94.60 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.98 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.72 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.392 | Crippen Calculated Property | |
| McVol | 206.580 | ml/mol | McGowan Calculated Property |
| Pc | 2438.81 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2299.00; 2304.00] |
|
|
| Inp | 2299.00 | NIST | |
| Inp | 2304.00 | NIST | |
| Inp | 2304.00 | NIST | |
| Inp | 2299.00 | NIST | |
| Tboil | 634.58 | K | Relay (1.0) Calculated Property |
| Tc | 899.84 | K | Relay (1.0) Calculated Property |
| Tfus | 342.35 | K | Relay (1.0) Calculated Property |
| Vc | 0.762 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Trimethylzeatin.
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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