ChemSpider 2D Image | tert-Butyl (3R,4S)-3-(3-ethoxyphenyl)-4-(hydroxymethyl)pyrrolidine-1-carboxylate | C18H27NO4

tert-Butyl (3R,4S)-3-(3-ethoxyphenyl)-4-(hydroxymethyl)pyrrolidine-1-carboxylate

  • Molecular FormulaC18H27NO4
  • Average mass321.411 Da
  • Monoisotopic mass321.194000 Da
  • ChemSpider ID21801521

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,4S)-3-(3-Éthoxyphényl)-4-(hydroxyméthyl)-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1186654-62-5 [RN]
1-Pyrrolidinecarboxylic acid, 3-(3-ethoxyphenyl)-4-(hydroxymethyl)-, 1,1-dimethylethyl ester, (3R,4S)- [ACD/Index Name]
2-Methyl-2-propanyl (3R,4S)-3-(3-ethoxyphenyl)-4-(hydroxymethyl)-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(3R,4S)-3-(3-ethoxyphenyl)-4-(hydroxymethyl)-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
tert-Butyl (3R,4S)-3-(3-ethoxyphenyl)-4-(hydroxymethyl)pyrrolidine-1-carboxylate
(3R,4S)-tert-butyl 3-(3-ethoxyphenyl)-4-(hydroxymethyl)pyrrolidine-1-carboxylate
1-pyrrolidinecarboxylic acid, 3-(3-ethoxyphenyl)-4-(hydroxymethyl), 1,1-dimethylethyl ester, (3R,4S)
tert-butyl(3r,4s)-3-(3-ethoxyphenyl)-4-(hydroxymethyl)pyrrolidine-1-carboxylate

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

MFCD12028188 [DBID]

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 444.8±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 74.1±3.0 kJ/mol
    Flash Point: 222.8±27.3 °C
    Index of Refraction: 1.524
    Molar Refractivity: 88.8±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 2.74
    ACD/LogD (pH 5.5): 2.92
    ACD/BCF (pH 5.5): 98.45
    ACD/KOC (pH 5.5): 929.75
    ACD/LogD (pH 7.4): 2.92
    ACD/BCF (pH 7.4): 98.45
    ACD/KOC (pH 7.4): 929.75
    Polar Surface Area: 59 Å2
    Polarizability: 35.2±0.5 10-24cm3
    Surface Tension: 41.0±3.0 dyne/cm
    Molar Volume: 290.2±3.0 cm3

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