ChemSpider 2D Image | Methyl 4-methyl-2-[(1R)-3-methyl-1-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)butyl]-1H-imidazole-5-carboxylate | C16H27N3O4

Methyl 4-methyl-2-[(1R)-3-methyl-1-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)butyl]-1H-imidazole-5-carboxylate

  • Molecular FormulaC16H27N3O4
  • Average mass325.403 Da
  • Monoisotopic mass325.200165 Da
  • ChemSpider ID32842131

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1H-Imidazole-4-carboxylic acid, 2-[(1R)-1-[[(1,1-dimethylethoxy)carbonyl]amino]-3-methylbutyl]-5-methyl-, methyl ester [ACD/Index Name]
4-Méthyl-2-[(1R)-3-méthyl-1-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)butyl]-1H-imidazole-5-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 4-methyl-2-[(1R)-3-methyl-1-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)butyl]-1H-imidazole-5-carboxylate [ACD/IUPAC Name]
Methyl-4-methyl-2-[(1R)-3-methyl-1-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)butyl]-1H-imidazol-5-carboxylat [German] [ACD/IUPAC Name]
1881275-92-8 [RN]
methyl 2-((1R)-1-((tert-butoxycarbonyl)amino)-3-methylbutyl)-5-methyl-1H-imidazole-4-carboxylate
methyl 2-[(1R)-1-{[(tert-butoxy)carbonyl]amino}-3-methylbutyl]-5-methyl-1H-imidazole-4-carboxylate
MFCD28346251
TS-7531

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

Density: 1.1±0.1 g/cm3
Boiling Point: 488.6±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.5±3.0 kJ/mol
Flash Point: 249.3±25.9 °C
Index of Refraction: 1.507
Molar Refractivity: 87.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.80
ACD/LogD (pH 5.5): 3.14
ACD/BCF (pH 5.5): 142.37
ACD/KOC (pH 5.5): 1201.47
ACD/LogD (pH 7.4): 3.15
ACD/BCF (pH 7.4): 146.12
ACD/KOC (pH 7.4): 1233.06
Polar Surface Area: 93 Å2
Polarizability: 34.6±0.5 10-24cm3
Surface Tension: 40.9±3.0 dyne/cm
Molar Volume: 293.5±3.0 cm3

Click to predict properties on the Chemicalize site


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