ChemSpider 2D Image | 2-({[2-(1H-Imidazol-4-yl)ethyl]amino}methyl)phenol | C12H15N3O

2-({[2-(1H-Imidazol-4-yl)ethyl]amino}methyl)phenol

  • Molecular FormulaC12H15N3O
  • Average mass217.267 Da
  • Monoisotopic mass217.121506 Da
  • ChemSpider ID21147431

More details:

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

2-({[2-(1H-Imidazol-4-yl)ethyl]amino}methyl)phenol [ACD/IUPAC Name]
2-({[2-(1H-Imidazol-4-yl)ethyl]amino}methyl)phenol [German] [ACD/IUPAC Name]
2-({[2-(1H-Imidazol-4-yl)éthyl]amino}méthyl)phénol [French] [ACD/IUPAC Name]
Phenol, 2-[[[2-(1H-imidazol-5-yl)ethyl]amino]methyl]- [ACD/Index Name]
162127-02-8 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 471.0±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.2±3.0 kJ/mol
Flash Point: 238.7±24.6 °C
Index of Refraction: 1.624
Molar Refractivity: 62.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.46
ACD/LogD (pH 5.5): -2.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.84
Polar Surface Area: 61 Å2
Polarizability: 24.9±0.5 10-24cm3
Surface Tension: 58.3±3.0 dyne/cm
Molar Volume: 178.3±3.0 cm3

Click to predict properties on the Chemicalize site


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