ChemSpider 2D Image | 1-Boc-3-cyano-3-methylazetidine | C10H16N2O2

1-Boc-3-cyano-3-methylazetidine

  • Molecular FormulaC10H16N2O2
  • Average mass196.246 Da
  • Monoisotopic mass196.121185 Da
  • ChemSpider ID27471007

More details:

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

1-Boc-3-cyano-3-methylazetidine
MFCD17016128 [MDL number]
tert-Butyl 3-cyano-3-methylazetidine-1-carboxylate
3-Cyano-3-methyl-azetidine-1-carboxylic acid tert-butyl ester
936850-09-8 [RN]
http:////www.amadischem.com/proen/574546/
tert-Butyl 3-cyano-3-methyl-azetidine-1-carboxylate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 291.9±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.1±3.0 kJ/mol
Flash Point: 130.3±25.4 °C
Index of Refraction: 1.490
Molar Refractivity: 52.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.65
ACD/LogD (pH 5.5): 0.97
ACD/BCF (pH 5.5): 3.21
ACD/KOC (pH 5.5): 80.25
ACD/LogD (pH 7.4): 0.97
ACD/BCF (pH 7.4): 3.21
ACD/KOC (pH 7.4): 80.25
Polar Surface Area: 53 Å2
Polarizability: 20.6±0.5 10-24cm3
Surface Tension: 40.8±5.0 dyne/cm
Molar Volume: 179.9±5.0 cm3

Click to predict properties on the Chemicalize site


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