ChemSpider 2D Image | cis-2-Iodo-3-phenyl-1-tert-butoxycarbonylaziridine | C13H16INO2

cis-2-Iodo-3-phenyl-1-tert-butoxycarbonylaziridine

  • Molecular FormulaC13H16INO2
  • Average mass345.176 Da
  • Monoisotopic mass345.022552 Da
  • ChemSpider ID28419952
  • defined stereocentres - 2 of 3 defined stereocentres


More details:






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

(2S,3R)-2-Iodo-3-phényl-1-aziridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1-Aziridinecarboxylic acid, 2-iodo-3-phenyl-, 1,1-dimethylethyl ester, (2S,3R)- [ACD/Index Name]
2-Methyl-2-propanyl (2S,3R)-2-iodo-3-phenyl-1-aziridinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(2S,3R)-2-iod-3-phenyl-1-aziridincarboxylat [German] [ACD/IUPAC Name]
cis-2-Iodo-3-phenyl-1-tert-butoxycarbonylaziridine
iodoaziridine [Wiki]
iodo-aziridine [Wiki]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 370.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.7±3.0 kJ/mol
Flash Point: 177.6±27.9 °C
Index of Refraction: 1.612
Molar Refractivity: 75.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.16
ACD/LogD (pH 5.5): 3.33
ACD/BCF (pH 5.5): 199.24
ACD/KOC (pH 5.5): 1539.90
ACD/LogD (pH 7.4): 3.33
ACD/BCF (pH 7.4): 199.24
ACD/KOC (pH 7.4): 1539.90
Polar Surface Area: 29 Å2
Polarizability: 30.0±0.5 10-24cm3
Surface Tension: 48.4±5.0 dyne/cm
Molar Volume: 217.8±5.0 cm3

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