ChemSpider 2D Image | Benzyl [(2S)-3-methyl-1-(methylamino)-1-oxo-2-butanyl]carbamate | C14H20N2O3

Benzyl [(2S)-3-methyl-1-(methylamino)-1-oxo-2-butanyl]carbamate

  • Molecular FormulaC14H20N2O3
  • Average mass264.320 Da
  • Monoisotopic mass264.147400 Da
  • ChemSpider ID28295374
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

[(2S)-3-Méthyl-1-(méthylamino)-1-oxo-2-butanyl]carbamate de benzyle [French] [ACD/IUPAC Name]
Benzyl [(2S)-3-methyl-1-(methylamino)-1-oxo-2-butanyl]carbamate [ACD/IUPAC Name]
Benzyl-[(2S)-3-methyl-1-(methylamino)-1-oxo-2-butanyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S)-2-methyl-1-[(methylamino)carbonyl]propyl]-, phenylmethyl ester [ACD/Index Name]
(S)-Benzyl (3-methyl-1-(methylamino)-1-oxobutan-2-yl)carbamate
(S)-Benzyl(3-methyl-1-(methylamino)-1-oxobutan-2-yl)carbamate
(S)-BENZYL-(3-METHYL-1-(METHYLAMINO)-1-OXOBUTAN-2-YL)CARBAMATE
128647-50-7 [RN]
Benzyl [(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamate
BENZYL N-[(1S)-2-METHYL-1-(METHYLCARBAMOYL)PROPYL]CARBAMATE
More...

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

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

      Not Available Novochemy [NC-26582]
    • Safety:

      20/21/22 Novochemy [NC-26582]
      20/21/36/37/39 Novochemy [NC-26582]
      GHS07; GHS09 Novochemy [NC-26582]
      H332; H403 Novochemy [NC-26582]
      P332+P313; P305+P351+P338 Novochemy [NC-26582]
      R22 Novochemy [NC-26582]
      Warning Novochemy [NC-26582]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 468.0±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.0±3.0 kJ/mol
Flash Point: 236.8±26.8 °C
Index of Refraction: 1.515
Molar Refractivity: 72.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.83
ACD/LogD (pH 5.5): 1.74
ACD/BCF (pH 5.5): 12.42
ACD/KOC (pH 5.5): 211.25
ACD/LogD (pH 7.4): 1.74
ACD/BCF (pH 7.4): 12.41
ACD/KOC (pH 7.4): 211.13
Polar Surface Area: 67 Å2
Polarizability: 28.7±0.5 10-24cm3
Surface Tension: 39.7±3.0 dyne/cm
Molar Volume: 240.3±3.0 cm3

Click to predict properties on the Chemicalize site






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