ChemSpider 2D Image | tert-Butyl [(3R,4S)-4-phenylpyrrolidin-3-yl]carbamate | C15H22N2O2

tert-Butyl [(3R,4S)-4-phenylpyrrolidin-3-yl]carbamate

  • Molecular FormulaC15H22N2O2
  • Average mass262.347 Da
  • Monoisotopic mass262.168121 Da
  • ChemSpider ID23500042

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[(3R,4S)-4-Phényl-3-pyrrolidinyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [(3R,4S)-4-phenyl-3-pyrrolidinyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(3R,4S)-4-phenyl-3-pyrrolidinyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(3R,4S)-4-phenyl-3-pyrrolidinyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
tert-Butyl [(3R,4S)-4-phenylpyrrolidin-3-yl]carbamate
1015070-53-7 [RN]
351360-61-7 [RN]
MFCD20230535
tert-Butyl ((3R,4S)-4-phenylpyrrolidin-3-yl)carbamate
tert-butyl (3S,4R)-4-phenylpyrrolidin-3-ylcarbamate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

MFCD03002043 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 401.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.2±3.0 kJ/mol
Flash Point: 196.4±28.7 °C
Index of Refraction: 1.544
Molar Refractivity: 75.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.38
ACD/LogD (pH 5.5): -0.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.42
Polar Surface Area: 50 Å2
Polarizability: 29.9±0.5 10-24cm3
Surface Tension: 42.0±5.0 dyne/cm
Molar Volume: 239.3±5.0 cm3

Click to predict properties on the Chemicalize site


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