ChemSpider 2D Image | 1-Boc-3-(cyanomethyl)azetidine | C10H16N2O2

1-Boc-3-(cyanomethyl)azetidine

  • Molecular FormulaC10H16N2O2
  • Average mass196.246 Da
  • Monoisotopic mass196.121185 Da
  • ChemSpider ID23078046

More details:






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

142253-58-5 [RN]
1-Boc-3-(cyanomethyl)azetidine
[142253-58-5]
http:////www.amadischem.com/proen/590894/
http://en.atomaxchem.com/142253-58-5.html
MFCD11035913 [MDL number]
tert-Butyl 3-(cyanomethyl)azetidine-1-carboxylate

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

CCRIS 4693 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      Not Available Novochemy [NC-08998]
    • Safety:

      20/21/22 Novochemy [NC-08998]
      20/21/36/37/39 Novochemy [NC-08998]
      GHS07; GHS09 Novochemy [NC-08998]
      H304; H332; H403 Novochemy [NC-08998]
      P102; P210; P262; P270; P302+P352; P308+P313 Novochemy [NC-08998]
      R22 Novochemy [NC-08998]
      Warning Novochemy [NC-08998]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 310.1±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.1±3.0 kJ/mol
Flash Point: 141.3±20.4 °C
Index of Refraction: 1.483
Molar Refractivity: 51.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.28
ACD/LogD (pH 5.5): 1.28
ACD/BCF (pH 5.5): 5.49
ACD/KOC (pH 5.5): 117.82
ACD/LogD (pH 7.4): 1.28
ACD/BCF (pH 7.4): 5.49
ACD/KOC (pH 7.4): 117.82
Polar Surface Area: 53 Å2
Polarizability: 20.4±0.5 10-24cm3
Surface Tension: 41.2±3.0 dyne/cm
Molar Volume: 180.2±3.0 cm3

Click to predict properties on the Chemicalize site






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