- InChI
- InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
- InChI Key
- NTYJJOPFIAHURM-UHFFFAOYSA-N
- Formula
- C5H9N3
- SMILES
- NCCc1cnc[nH]1
- Molecular Weight1
- 111.15
- CAS
- 51-45-6
- Other Names
-
- 1H-Imidazole-4-ethanamine
- «beta»-Imidazolyl-4-ethylamine
- Eramin
- Ergamine
- Ergotidine
- Imidazole-4-ethylamine
- 2-(4-Imidazolyl)ethylamine
- 5-Imidazoleethylamine
- Ethylamine, 2-imidazol-4-yl-
- Free histamine
- Imidazole, 4-(2-aminoethyl)-
- Theramine
- 4-(2-Aminoethyl)-1H-imidazole
- «beta»-Aminoethylglyoxaline
- «beta»-Aminoethylimidazole
- NSC 33792
- 2-imidazol-4-ylethylamine
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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).
- Tboilr : Boiling point at reduced pressure (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 | 0.5092 | Relay (... Calculated Property | |
| PAff | 999.80 | kJ/mol | NIST |
| BasG | 961.90 | kJ/mol | NIST |
| ΔfG° | 242.80 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 94.17 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 71.49 | kJ/mol | Relay (... Calculated Property |
| IE | 8.91 | eV | Relay (... Calculated Property |
| log10WS | 0.44 | Relay (... Calculated Property | |
| logPoct/wat | -0.571 | Crippen Calculated Property | |
| McVol | 91.790 | ml/mol | McGowan Calculated Property |
| Pc | 5097.09 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1497.00; 1500.00] |
|
|
| Inp | 1500.00 | NIST | |
| Inp | 1497.00 | NIST | |
| Inp | 1497.00 | NIST | |
| Inp | 1500.00 | NIST | |
| Tboil | 578.50 | K | Relay (... Calculated Property |
| Tc | 763.03 | K | Relay (... Calculated Property |
| Tfus | 444.84 | K | Relay (... Calculated Property |
| Vc | 0.323 | m3/kmol | Relay (... Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 440.20 | K | 0.10 | NIST |
Similar Compounds
Find more compounds similar to Histamine.
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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