ChemSpider 2D Image | 2-Methyl-2-propanyl [(1S)-1-cyano-2-(4-iodophenyl)ethyl]carbamate | C14H17IN2O2

2-Methyl-2-propanyl [(1S)-1-cyano-2-(4-iodophenyl)ethyl]carbamate

  • Molecular FormulaC14H17IN2O2
  • Average mass372.201 Da
  • Monoisotopic mass372.033478 Da
  • ChemSpider ID29362712

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[(1S)-1-Cyano-2-(4-iodophényl)éthyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [(1S)-1-cyano-2-(4-iodophenyl)ethyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(1S)-1-cyan-2-(4-iodphenyl)ethyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S)-1-cyano-2-(4-iodophenyl)ethyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
(S)-TERT-BUTYL (1-CYANO-2-(4-IODOPHENYL)ETHYL)CARBAMATE
1159489-37-8 [RN]
MFCD25541986

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

Density: 1.5±0.1 g/cm3
Boiling Point: 458.9±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.9±3.0 kJ/mol
Flash Point: 231.3±27.3 °C
Index of Refraction: 1.569
Molar Refractivity: 81.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.88
ACD/LogD (pH 5.5): 3.56
ACD/BCF (pH 5.5): 296.67
ACD/KOC (pH 5.5): 2047.63
ACD/LogD (pH 7.4): 3.55
ACD/BCF (pH 7.4): 295.66
ACD/KOC (pH 7.4): 2040.66
Polar Surface Area: 62 Å2
Polarizability: 32.4±0.5 10-24cm3
Surface Tension: 46.6±3.0 dyne/cm
Molar Volume: 249.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement