ChemSpider 2D Image | Argatroban Related Compound | C9H17NO2

Argatroban Related Compound

  • Molecular FormulaC9H17NO2
  • Average mass171.237 Da
  • Monoisotopic mass171.125931 Da
  • ChemSpider ID29789801

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,4S)-4-Méthyl-2-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
2-Piperidinecarboxylic acid, 4-methyl-, ethyl ester, (2S,4S)- [ACD/Index Name]
78306-52-2 [RN]
Argatroban Related Compound
Ethyl (2S,4S)-4-methyl-2-piperidinecarboxylate [ACD/IUPAC Name]
ethyl (2S,4S)-4-methylpiperidine-2-carboxylate
Ethyl-(2S,4S)-4-methyl-2-piperidincarboxylat [German] [ACD/IUPAC Name]
(2R,4R)-4-Methyl-2-piperidinecarboxylic acid ethyl ester
(2R-trans)-4-Methyl-2-piperidinecarboxylic acid ethyl ester
(2S,4S)-Ethyl 4-methylpiperidine-2-carboxylate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.0±0.1 g/cm3
    Boiling Point: 226.1±33.0 °C at 760 mmHg
    Vapour Pressure: 0.1±0.4 mmHg at 25°C
    Enthalpy of Vaporization: 46.3±3.0 kJ/mol
    Flash Point: 90.5±25.4 °C
    Index of Refraction: 1.442
    Molar Refractivity: 46.7±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.48
    ACD/LogD (pH 5.5): 0.23
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 9.27
    ACD/LogD (pH 7.4): 1.34
    ACD/BCF (pH 7.4): 5.93
    ACD/KOC (pH 7.4): 118.81
    Polar Surface Area: 38 Å2
    Polarizability: 18.5±0.5 10-24cm3
    Surface Tension: 29.2±3.0 dyne/cm
    Molar Volume: 176.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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