- InChI
- InChI=1S/C13H26N4O2/c1-16(2)10-14-9-7-6-8-12(13(18)19-5)15-11-17(3)4/h10-12H,6-9H2,1-5H3/t12-/m1/s1
- InChI Key
- VRYPGRZLBVMBCT-GFCCVEGCSA-N
- Formula
- C13H26N4O2
- SMILES
- COC(=O)C(CCCCN=CN(C)C)N=CN(C)C
- Molecular Weight1
- 270.37
- CAS
- 70102-41-9
- Other Names
-
- L-Lysine, N,N'-bis(dimethylaminomethylene)-, methyl ester
- Methyl 6-([(E)-(dimethylamino)methylidene]amino)-2-([(Z)-(dimethylamino)methylidene]amino)hexanoate
- 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 | 0.7548 | Relay (1.0) Calculated Property | |
| ΔfG° | 151.60 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -326.08 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 86.27 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.42 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.37 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.878 | Crippen Calculated Property | |
| McVol | 232.790 | ml/mol | McGowan Calculated Property |
| Pc | 1450.14 | kPa | Joback Calculated Property |
| Inp | [2003.00; 2003.00] |
|
|
| Inp | 2003.00 | NIST | |
| Inp | 2003.00 | NIST | |
| Tboil | 590.02 | K | Relay (1.0) Calculated Property |
| Tc | 781.25 | K | Relay (1.0) Calculated Property |
| Tfus | 317.89 | K | Relay (1.0) Calculated Property |
| Vc | 0.839 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to N(2),N(6)-Bis(dimethylaminomethylene)lysine methyl ester.
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
- Joback Method
- McGowan Method
- NIST Webbook
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