ChemSpider 2D Image | (3R)-3-(N-Boc-Amino)-1-chloro-4-phenyl-2-butanone | C15H20ClNO3

(3R)-3-(N-Boc-Amino)-1-chloro-4-phenyl-2-butanone

  • Molecular FormulaC15H20ClNO3
  • Average mass297.777 Da
  • Monoisotopic mass297.113159 Da
  • ChemSpider ID24590316

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-3-(N-Boc-Amino)-1-chloro-4-phenyl-2-butanone
[(2R)-4-Chloro-3-oxo-1-phényl-2-butanyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
150935-37-8 [RN]
2-Methyl-2-propanyl [(2R)-4-chloro-3-oxo-1-phenyl-2-butanyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(2R)-4-chlor-3-oxo-1-phenyl-2-butanyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1R)-3-chloro-2-oxo-1-(phenylmethyl)propyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
tert-Butyl [(2R)-4-chloro-3-oxo-1-phenylbutan-2-yl]carbamate
TERT-BUTYL N-[(2R)-4-CHLORO-3-OXO-1-PHENYLBUTAN-2-YL]CARBAMATE
(R)-tert-Butyl (4-chloro-3-oxo-1-phenylbutan-2-yl)carbamate
(R)-tert-butyl 4-chloro-3-oxo-1-phenylbutan-2-ylcarbamate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 423.9±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.8±3.0 kJ/mol
Flash Point: 210.2±27.3 °C
Index of Refraction: 1.517
Molar Refractivity: 78.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.66
ACD/LogD (pH 5.5): 3.11
ACD/BCF (pH 5.5): 135.57
ACD/KOC (pH 5.5): 1169.00
ACD/LogD (pH 7.4): 3.11
ACD/BCF (pH 7.4): 135.53
ACD/KOC (pH 7.4): 1168.68
Polar Surface Area: 55 Å2
Polarizability: 31.1±0.5 10-24cm3
Surface Tension: 39.9±3.0 dyne/cm
Molar Volume: 259.0±3.0 cm3

Click to predict properties on the Chemicalize site


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