ChemSpider 2D Image | 2-Methyl-2-propanyl N-[(benzyloxy)carbonyl]-4-nitrophenylalaninate | C21H24N2O6

2-Methyl-2-propanyl N-[(benzyloxy)carbonyl]-4-nitrophenylalaninate

  • Molecular FormulaC21H24N2O6
  • Average mass400.425 Da
  • Monoisotopic mass400.163422 Da
  • ChemSpider ID28536380
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

2-Methyl-2-propanyl N-[(benzyloxy)carbonyl]-4-nitrophenylalaninate [ACD/IUPAC Name]
2-Methyl-2-propanyl-N-[(benzyloxy)carbonyl]-4-nitrophenylalaninat [German] [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-4-nitrophénylalaninate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
Phenylalanine, 4-nitro-N-[(phenylmethoxy)carbonyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
(S)-tert-Butyl 2-(((benzyloxy)carbonyl)amino)-3-(4-nitrophenyl)propanoate
(S)-tert-Butyl 2-(((benzyloxy)carbonyl)-amino)-3-(4-nitrophenyl)propanoate
(S)-tert-Butyl2-(((benzyloxy)carbonyl)amino)-3-(4-nitrophenyl)propanoate
[869882-71-3]
869882-71-3 [RN]
MFCD23135375 [MDL number]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]
  • Miscellaneous
    • Appearance:

      Not Available Novochemy [NC-42471]
    • Safety:

      20/21/22 Novochemy [NC-42471]
      20/21/36/37/39 Novochemy [NC-42471]
      GHS07; GHS09 Novochemy [NC-42471]
      H332; H403 Novochemy [NC-42471]
      IRRITANT Matrix Scientific 095016
      P102; P210; P262; P270; P302+P352; P308+P313 Novochemy [NC-42471]
      R52/1019 Novochemy [NC-42471]
      Warning Novochemy [NC-42471]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 560.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.3±3.0 kJ/mol
Flash Point: 292.5±30.1 °C
Index of Refraction: 1.565
Molar Refractivity: 106.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.95
ACD/LogD (pH 5.5): 4.40
ACD/BCF (pH 5.5): 1291.93
ACD/KOC (pH 5.5): 5869.77
ACD/LogD (pH 7.4): 4.40
ACD/BCF (pH 7.4): 1291.09
ACD/KOC (pH 7.4): 5865.99
Polar Surface Area: 110 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 48.1±3.0 dyne/cm
Molar Volume: 326.5±3.0 cm3

Click to predict properties on the Chemicalize site






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