ChemSpider 2D Image | (S)-tert-Butyl ((1-benzylpyrrolidin-3-yl)methyl)carbamate | C17H26N2O2

(S)-tert-Butyl ((1-benzylpyrrolidin-3-yl)methyl)carbamate

  • Molecular FormulaC17H26N2O2
  • Average mass290.401 Da
  • Monoisotopic mass290.199432 Da
  • ChemSpider ID23009795

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(S)-tert-Butyl ((1-benzylpyrrolidin-3-yl)methyl)carbamate
{[(3S)-1-Benzyl-3-pyrrolidinyl]méthyl}carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl {[(3S)-1-benzyl-3-pyrrolidinyl]methyl}carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-{[(3S)-1-benzyl-3-pyrrolidinyl]methyl}carbamat [German] [ACD/IUPAC Name]
303111-41-3 [RN]
Carbamic acid, N-[[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]methyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
tert-Butyl {[(3S)-1-benzylpyrrolidin-3-yl]methyl}carbamate
(S)-(1-Benzyl-pyrrolidin-3-ylmethyl)-carbamic acid tert-butyl ester
(S)-1-Benzyl-3-N-Boc-aminomethylpyrrolidine
(S)-1-Benzyl-3-N-Boc-aminometylpyrrolidine
More...

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 400.1±18.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 65.1±3.0 kJ/mol
    Flash Point: 195.8±21.2 °C
    Index of Refraction: 1.528
    Molar Refractivity: 84.4±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 2.98
    ACD/LogD (pH 5.5): 0.05
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.07
    ACD/LogD (pH 7.4): 1.20
    ACD/BCF (pH 7.4): 1.70
    ACD/KOC (pH 7.4): 14.85
    Polar Surface Area: 42 Å2
    Polarizability: 33.4±0.5 10-24cm3
    Surface Tension: 40.0±3.0 dyne/cm
    Molar Volume: 274.0±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement