ChemSpider 2D Image | (3S,4R)-1-tert-butoxycarbonyl-4-(4-ethylphenyl)pyrrolidine-3-carboxylic acid | C18H25NO4

(3S,4R)-1-tert-butoxycarbonyl-4-(4-ethylphenyl)pyrrolidine-3-carboxylic acid

  • Molecular FormulaC18H25NO4
  • Average mass319.395 Da
  • Monoisotopic mass319.178345 Da
  • ChemSpider ID24721671
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(3S,4R)-4-(4-Ethylphenyl)-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-3-pyrrolidincarbonsäure [German] [ACD/IUPAC Name]
Acide (3S,4R)-4-(4-éthylphényl)-1-{[(2-méthyl-2-propanyl)oxy]carbonyl}-3-pyrrolidinecarboxylique [French] [ACD/IUPAC Name]
(3S,4R)-1-(tert-butoxycarbonyl)-4-(4-ethylphenyl)pyrrolidine-3-carboxylic acid
(3S,4R)-1-(tert-Butoxycarbonyl)-4-(4-ethylphenyl)pyrrolidine-3-carboxylicacid
[1227845-15-9]
1227845-15-9 [RN]
'1227845-15-9
MFCD12547490
MFCD17011749 [MDL number]
MFCD22422624
More...

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

CCRIS 4693 [DBID]
  • Miscellaneous
    • Appearance:

      Not Available Novochemy [NC-29265]
    • Safety:

      20/21/22 Novochemy [NC-29265]
      20/21/36/37/39 Novochemy [NC-29265]
      GHS07; GHS09 Novochemy [NC-29265]
      H332; H403 Novochemy [NC-29265]
      P301+P310; P337+P313 Novochemy [NC-29265]
      R22 Novochemy [NC-29265]
      Warning Novochemy [NC-29265]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 469.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.1±3.0 kJ/mol
Flash Point: 237.6±28.7 °C
Index of Refraction: 1.542
Molar Refractivity: 86.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.54
ACD/LogD (pH 5.5): 2.44
ACD/BCF (pH 5.5): 21.83
ACD/KOC (pH 5.5): 145.08
ACD/LogD (pH 7.4): 0.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.35
Polar Surface Area: 67 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 46.0±3.0 dyne/cm
Molar Volume: 276.2±3.0 cm3

Click to predict properties on the Chemicalize site






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