- InChI
- InChI=1S/C11H15N3O3/c1-8(15)13-6-11(12-7-13)4-5-14(9(2)16)10(3)17/h6-7H,4-5H2,1-3H3
- InChI Key
- NDNZBWUEKDZBEN-UHFFFAOYSA-N
- Formula
- C11H15N3O3
- SMILES
-
CC(=O)N(CCc1cn(C(C)=O)cn1)C(C)
=O - Molecular Weight1
- 237.26
- 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 | 0.7323 | Relay (... Calculated Property | |
| ΔfG° | -3.26 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -458.66 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 94.52 | kJ/mol | Relay (... Calculated Property |
| IE | 9.22 | eV | Relay (... Calculated Property |
| log10WS | -0.51 | Relay (... Calculated Property | |
| logPoct/wat | 0.481 | Crippen Calculated Property | |
| McVol | 181.040 | ml/mol | McGowan Calculated Property |
| Pc | 2635.29 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1963.00; 1963.00] |
|
|
| Inp | 1963.00 | NIST | |
| Inp | 1963.00 | NIST | |
| Tboil | 592.64 | K | Relay (... Calculated Property |
| Tc | 844.95 | K | Relay (... Calculated Property |
| Tfus | 395.68 | K | Relay (... Calculated Property |
| Vc | 0.683 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Histamine, N,N',N'-triacetyl-.
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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