ChemSpider 2D Image | Methyl N-tert-butoxycarbonyl-2-aminomethyl-imidazole-4-carboxylate | C11H17N3O4

Methyl N-tert-butoxycarbonyl-2-aminomethyl-imidazole-4-carboxylate

  • Molecular FormulaC11H17N3O4
  • Average mass255.270 Da
  • Monoisotopic mass255.121902 Da
  • ChemSpider ID23355256

More details:

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

1H-Imidazole-4-carboxylic acid, 2-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-, methyl ester [ACD/Index Name]
2-[({[(2-Méthyl-2-propanyl)oxy]carbonyl}amino)méthyl]-1H-imidazole-4-carboxylate de méthyle [French] [ACD/IUPAC Name]
252348-76-8 [RN]
methyl 2-(((tert-butoxycarbonyl)amino)methyl)-1H-imidazole-4-carboxylate
Methyl 2-[({[(2-methyl-2-propanyl)oxy]carbonyl}amino)methyl]-1H-imidazole-4-carboxylate [ACD/IUPAC Name]
Methyl 2-{[(tert-butoxycarbonyl)amino]methyl}-1H-imidazole-4-carboxylate
Methyl N-tert-butoxycarbonyl-2-aminomethyl-imidazole-4-carboxylate
Methyl-2-[({[(2-methyl-2-propanyl)oxy]carbonyl}amino)methyl]-1H-imidazol-4-carboxylat [German] [ACD/IUPAC Name]
MFCD09787525 [MDL number]
Methyl 2-(((tert-butoxycarbonyl)amino)methyl)-1H-imidazole-5-carboxylate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 463.3±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.4±3.0 kJ/mol
Flash Point: 234.0±23.2 °C
Index of Refraction: 1.521
Molar Refractivity: 64.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.59
ACD/LogD (pH 5.5): 1.38
ACD/BCF (pH 5.5): 6.62
ACD/KOC (pH 5.5): 134.53
ACD/LogD (pH 7.4): 1.38
ACD/BCF (pH 7.4): 6.64
ACD/KOC (pH 7.4): 134.86
Polar Surface Area: 93 Å2
Polarizability: 25.4±0.5 10-24cm3
Surface Tension: 46.8±3.0 dyne/cm
Molar Volume: 210.1±3.0 cm3

Click to predict properties on the Chemicalize site


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