ChemSpider 2D Image | TERT-BUTYL 2-{[(2-METHYLPHENYL)METHOXY]METHYL}PYRROLIDINE-1-CARBOXYLATE | C18H27NO3

TERT-BUTYL 2-{[(2-METHYLPHENYL)METHOXY]METHYL}PYRROLIDINE-1-CARBOXYLATE

  • Molecular FormulaC18H27NO3
  • Average mass305.412 Da
  • Monoisotopic mass305.199097 Da
  • ChemSpider ID27458706

More details:

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

1121602-79-6 [RN]
1-Pyrrolidinecarboxylic acid, 2-[[(2-methylphenyl)methoxy]methyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-{[(2-Méthylbenzyl)oxy]méthyl}-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl 2-{[(2-methylbenzyl)oxy]methyl}-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-2-{[(2-methylbenzyl)oxy]methyl}-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
TERT-BUTYL 2-{[(2-METHYLPHENYL)METHOXY]METHYL}PYRROLIDINE-1-CARBOXYLATE
1-Boc-2-(2-Methylbenzyloxymethyl)pyrrolidine
2-(2-methylbenzyloxymethyl)pyrrolidine-1-carboxylic acid tert-butyl ester
2-(2-Methyl-benzyloxymethyl)-pyrrolidine-1-carboxylic acid tert-butyl ester
2-(2-Methyl-benzyloxymethyl)-pyrrolidine-1-carboxylicacidtert-butylester
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 396.6±17.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 64.7±3.0 kJ/mol
    Flash Point: 193.7±20.9 °C
    Index of Refraction: 1.518
    Molar Refractivity: 87.2±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 3.64
    ACD/LogD (pH 5.5): 3.91
    ACD/BCF (pH 5.5): 552.20
    ACD/KOC (pH 5.5): 3194.43
    ACD/LogD (pH 7.4): 3.91
    ACD/BCF (pH 7.4): 552.20
    ACD/KOC (pH 7.4): 3194.43
    Polar Surface Area: 39 Å2
    Polarizability: 34.6±0.5 10-24cm3
    Surface Tension: 39.0±3.0 dyne/cm
    Molar Volume: 287.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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