ChemSpider 2D Image | 2-(3-Chlorophenyl)histamine | C11H12ClN3

2-(3-Chlorophenyl)histamine

  • Molecular FormulaC11H12ClN3
  • Average mass221.686 Da
  • Monoisotopic mass221.071976 Da
  • ChemSpider ID23122253

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1H-Imidazole-4-ethanamine, 2-(3-chlorophenyl)- [ACD/Index Name]
2-(3-Chlorophenyl)histamine
2-[2-(3-Chlorophenyl)-1H-imidazol-4-yl]ethanamine [ACD/IUPAC Name]
2-[2-(3-Chlorophényl)-1H-imidazol-4-yl]éthanamine [French] [ACD/IUPAC Name]
2-[2-(3-Chlorphenyl)-1H-imidazol-4-yl]ethanamin [German] [ACD/IUPAC Name]
133118-40-8 [RN]
2-[2-(3-Chloro-phenyl)-1H-imidazol-4-yl]-ethylamine
2-[2-(3-chlorophenyl)-3H-imidazol-4-yl]ethanamine
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL287052/

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 451.9±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.1±3.0 kJ/mol
Flash Point: 227.1±24.6 °C
Index of Refraction: 1.620
Molar Refractivity: 61.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.92
ACD/LogD (pH 5.5): -1.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.69
Polar Surface Area: 55 Å2
Polarizability: 24.3±0.5 10-24cm3
Surface Tension: 55.0±3.0 dyne/cm
Molar Volume: 174.7±3.0 cm3

Click to predict properties on the Chemicalize site


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