ChemSpider 2D Image | Methyl 3-chloro-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-alaninate | C9H16ClNO4

Methyl 3-chloro-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-alaninate

  • Molecular FormulaC9H16ClNO4
  • Average mass237.681 Da
  • Monoisotopic mass237.076782 Da
  • ChemSpider ID21374086

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-Chloro-N-{[(2-méthyl-2-propanyl)oxy]carbonyl}-D-alaninate de méthyle [French] [ACD/IUPAC Name]
D-Alanine, 3-chloro-N-[(1,1-dimethylethoxy)carbonyl]-, methyl ester [ACD/Index Name]
Methyl 3-chloro-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-alaninate [ACD/IUPAC Name]
Methyl-3-chlor-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-alaninat [German] [ACD/IUPAC Name]
(S)-2-tert-Butoxycarbonylamino-3-chloro-propionic acid methyl ester
1313277-91-6 [RN]
METHYL (2S)-2-[(TERT-BUTOXYCARBONYL)AMINO]-3-CHLOROPROPANOATE
methyl (2S)-2-{[(tert-butoxy)carbonyl]amino}-3-chloropropanoate
Methyl N-Boc-3-chloro-D-alaninate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 321.2±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.3±3.0 kJ/mol
Flash Point: 148.1±25.1 °C
Index of Refraction: 1.456
Molar Refractivity: 55.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.93
ACD/LogD (pH 5.5): 1.84
ACD/BCF (pH 5.5): 14.68
ACD/KOC (pH 5.5): 238.04
ACD/LogD (pH 7.4): 1.84
ACD/BCF (pH 7.4): 14.66
ACD/KOC (pH 7.4): 237.83
Polar Surface Area: 65 Å2
Polarizability: 22.1±0.5 10-24cm3
Surface Tension: 35.2±3.0 dyne/cm
Molar Volume: 204.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement