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Search term: DANIFTQCKXMYRY (Found by InChIKey (skeleton match))

ChemSpider 2D Image | Isobutyl [(1R)-3-oxo-1-phenylpropyl]carbamate | C14H19NO3

Isobutyl [(1R)-3-oxo-1-phenylpropyl]carbamate

  • Molecular FormulaC14H19NO3
  • Average mass249.306 Da
  • Monoisotopic mass249.136490 Da
  • ChemSpider ID35033994
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

[(1R)-3-Oxo-1-phénylpropyl]carbamate d'isobutyle [French] [ACD/IUPAC Name]
2-Methylpropyl N-[(1r)-3-Oxidanylidene-1-Phenyl-Propyl]carbamate
Carbamic acid, N-[(1R)-3-oxo-1-phenylpropyl]-, 2-methylpropyl ester [ACD/Index Name]
Isobutyl [(1R)-3-oxo-1-phenylpropyl]carbamate [ACD/IUPAC Name]
Isobutyl-[(1R)-3-oxo-1-phenylpropyl]carbamat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 377.8±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.6±3.0 kJ/mol
Flash Point: 182.3±25.9 °C
Index of Refraction: 1.508
Molar Refractivity: 69.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.10
ACD/LogD (pH 5.5): 2.66
ACD/BCF (pH 5.5): 62.09
ACD/KOC (pH 5.5): 668.43
ACD/LogD (pH 7.4): 2.66
ACD/BCF (pH 7.4): 62.08
ACD/KOC (pH 7.4): 668.36
Polar Surface Area: 55 Å2
Polarizability: 27.4±0.5 10-24cm3
Surface Tension: 39.1±3.0 dyne/cm
Molar Volume: 232.0±3.0 cm3

Click to predict properties on the Chemicalize site






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