ChemSpider 2D Image | Chloromethyl N-{[(2-methyl-2-propanyl)oxy]carbonyl}-beta-alaninate | C9H16ClNO4

Chloromethyl N-{[(2-methyl-2-propanyl)oxy]carbonyl}-β-alaninate

  • Molecular FormulaC9H16ClNO4
  • Average mass237.681 Da
  • Monoisotopic mass237.076782 Da
  • ChemSpider ID60788492

More details:

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

Chlormethyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-β-alaninat [German] [ACD/IUPAC Name]
Chloromethyl N-{[(2-methyl-2-propanyl)oxy]carbonyl}-β-alaninate [ACD/IUPAC Name]
N-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-β-alaninate de chlorométhyle [French] [ACD/IUPAC Name]
β-Alanine, N-[(1,1-dimethylethoxy)carbonyl]-, chloromethyl ester [ACD/Index Name]
150109-41-4 [RN]
3-tert-Butoxycarbonylamino-propionic acid chloromethyl ester
chloromethyl 3-[(tert-butoxycarbonyl)amino]propanoate
chloromethyl 3-{[(tert-butoxy)carbonyl]amino}propanoate
MFCD20268528

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

Density: 1.2±0.1 g/cm3
Boiling Point: 326.4±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.9±3.0 kJ/mol
Flash Point: 151.2±22.3 °C
Index of Refraction: 1.458
Molar Refractivity: 55.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.62
ACD/LogD (pH 5.5): 1.79
ACD/BCF (pH 5.5): 13.63
ACD/KOC (pH 5.5): 225.80
ACD/LogD (pH 7.4): 1.79
ACD/BCF (pH 7.4): 13.63
ACD/KOC (pH 7.4): 225.79
Polar Surface Area: 65 Å2
Polarizability: 22.1±0.5 10-24cm3
Surface Tension: 36.2±3.0 dyne/cm
Molar Volume: 204.3±3.0 cm3

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