ChemSpider 2D Image | [({[6-(Methoxycarbonyl)-1H-benzimidazol-2-yl]methyl}amino)methyl]phosphonic acid | C11H14N3O5P

[({[6-(Methoxycarbonyl)-1H-benzimidazol-2-yl]methyl}amino)methyl]phosphonic acid

  • Molecular FormulaC11H14N3O5P
  • Average mass299.220 Da
  • Monoisotopic mass299.067108 Da
  • ChemSpider ID97790561

More details:

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

[({[6-(Methoxycarbonyl)-1H-benzimidazol-2-yl]methyl}amino)methyl]phosphonic acid [ACD/IUPAC Name]
[({[6-(Methoxycarbonyl)-1H-benzimidazol-2-yl]methyl}amino)methyl]phosphonsäure [German] [ACD/IUPAC Name]
1H-Benzimidazole-6-carboxylic acid, 2-[[(phosphonomethyl)amino]methyl]-, 6-methyl ester [ACD/Index Name]
Acide [({[6-(méthoxycarbonyl)-1H-benzimidazol-2-yl]méthyl}amino)méthyl]phosphonique [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 627.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.7±3.0 kJ/mol
Flash Point: 333.6±34.3 °C
Index of Refraction: 1.659
Molar Refractivity: 71.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.68
ACD/LogD (pH 5.5): -3.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 134 Å2
Polarizability: 28.3±0.5 10-24cm3
Surface Tension: 80.2±3.0 dyne/cm
Molar Volume: 193.8±3.0 cm3

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