ChemSpider 2D Image | (S)-1-N-Cbz-2-chloromethyl-pyrrolidine | C13H16ClNO2

(S)-1-N-Cbz-2-chloromethyl-pyrrolidine

  • Molecular FormulaC13H16ClNO2
  • Average mass253.725 Da
  • Monoisotopic mass253.086960 Da
  • ChemSpider ID21374148

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-(Chlorométhyl)-1-pyrrolidinecarboxylate de benzyle [French] [ACD/IUPAC Name]
(S)-1-N-Cbz-2-chloromethyl-pyrrolidine
(S)-benzyl 2-(chloromethyl)pyrrolidine-1-carboxylate
1-Pyrrolidinecarboxylic acid, 2-(chloromethyl)-, phenylmethyl ester, (2S)- [ACD/Index Name]
1-Pyrrolidinecarboxylic acid, 2-(chloromethyl)-, phenylmethyl ester, (S)-
61350-66-1 [RN]
Benzyl (2S)-2-(chloromethyl)-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
Benzyl (2S)-2-(chloromethyl)pyrrolidine-1-carboxylate
Benzyl-(2S)-2-(chlormethyl)-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
(s)-1-cbz-2-chloromethyl-pyrrolidine
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 373.9±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 62.1±3.0 kJ/mol
    Flash Point: 179.9±23.2 °C
    Index of Refraction: 1.549
    Molar Refractivity: 67.0±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.50
    ACD/LogD (pH 5.5): 3.05
    ACD/BCF (pH 5.5): 122.64
    ACD/KOC (pH 5.5): 1088.07
    ACD/LogD (pH 7.4): 3.05
    ACD/BCF (pH 7.4): 122.64
    ACD/KOC (pH 7.4): 1088.07
    Polar Surface Area: 30 Å2
    Polarizability: 26.6±0.5 10-24cm3
    Surface Tension: 44.4±3.0 dyne/cm
    Molar Volume: 210.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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