ChemSpider 2D Image | Ethyl 5-amino-1-methyl-1H-benzimidazole-2-butanoate | C14H19N3O2

Ethyl 5-amino-1-methyl-1H-benzimidazole-2-butanoate

  • Molecular FormulaC14H19N3O2
  • Average mass261.320 Da
  • Monoisotopic mass261.147736 Da
  • ChemSpider ID21896803

More details:

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

1H-Benzimidazole-2-butanoic acid, 5-amino-1-methyl-, ethyl ester [ACD/Index Name]
3543-73-5 [RN]
4-(5-Amino-1-méthyl-1H-benzimidazol-2-yl)butanoate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-(5-amino-1-methyl-1H-benzimidazol-2-yl)butanoate [ACD/IUPAC Name]
ethyl 4-(5-amino-1-methyl-1H-benzo[d]imidazol-2-yl)butanoate
Ethyl 5-amino-1-methyl-1H-benzimidazole-2-butanoate
Ethyl-4-(5-amino-1-methyl-1H-benzimidazol-2-yl)butanoat [German] [ACD/IUPAC Name]
[3543-73-5] [RN]
1246819-70-4 [RN]
1-Methyl-5-amino-1H-benzimidazole-2-butanoic acid ethyl ester

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

  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      Not Available Novochemy [NC-25571]
    • Safety:

      20/21/22 Novochemy [NC-25571]
      20/21/36/37/39 Novochemy [NC-25571]
      GHS07; GHS09 Novochemy [NC-25571]
      H332; H403 Novochemy [NC-25571]
      P332+P313; P305+P351+P338 Novochemy [NC-25571]
      R52/53 Novochemy [NC-25571]
      TBC SynQuest 4H58-1-CV
      Warning Novochemy [NC-25571]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 471.6±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.4±3.0 kJ/mol
Flash Point: 239.0±23.2 °C
Index of Refraction: 1.591
Molar Refractivity: 72.8±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.72
ACD/LogD (pH 5.5): 1.30
ACD/BCF (pH 5.5): 3.89
ACD/KOC (pH 5.5): 58.07
ACD/LogD (pH 7.4): 1.98
ACD/BCF (pH 7.4): 18.69
ACD/KOC (pH 7.4): 279.04
Polar Surface Area: 70 Å2
Polarizability: 28.8±0.5 10-24cm3
Surface Tension: 44.5±7.0 dyne/cm
Molar Volume: 215.3±7.0 cm3

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