ChemSpider 2D Image | tert-butyl (3R)-3-(chloromethyl)-1-pyrrolidinecarboxylate | C10H18ClNO2

tert-butyl (3R)-3-(chloromethyl)-1-pyrrolidinecarboxylate

  • Molecular FormulaC10H18ClNO2
  • Average mass219.708 Da
  • Monoisotopic mass219.102600 Da
  • ChemSpider ID28424729

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-3-(Chlorométhyl)-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1-Pyrrolidinecarboxylic acid, 3-(chloromethyl)-, 1,1-dimethylethyl ester, (3R)- [ACD/Index Name]
2-Methyl-2-propanyl (3R)-3-(chloromethyl)-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(3R)-3-(chlormethyl)-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
3(R)-Chloromethyl-pyrrolidine-1-carboxylic acid tert-butyl ester
MFCD08059337 [MDL number]
tert-butyl (3R)-3-(chloromethyl)-1-pyrrolidinecarboxylate
(r)-tert-butyl 3-(chloromethyl)-pyrrolidine-1-carboxylate
(R)-tert-butyl 3-(chloromethyl)pyrrolidine-1-carboxylate
(R)-tert-Butyl3-(chloromethyl)pyrrolidine-1-carboxylate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [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: 284.3±13.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 52.3±3.0 kJ/mol
    Flash Point: 125.7±19.8 °C
    Index of Refraction: 1.477
    Molar Refractivity: 56.4±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.80
    ACD/LogD (pH 5.5): 2.76
    ACD/BCF (pH 5.5): 73.23
    ACD/KOC (pH 5.5): 752.21
    ACD/LogD (pH 7.4): 2.76
    ACD/BCF (pH 7.4): 73.23
    ACD/KOC (pH 7.4): 752.21
    Polar Surface Area: 30 Å2
    Polarizability: 22.3±0.5 10-24cm3
    Surface Tension: 35.3±3.0 dyne/cm
    Molar Volume: 199.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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