ChemSpider 2D Image | 2-{1-[(TERT-BUTOXY)CARBONYL]-4-(3-METHYLPHENYL)PIPERIDIN-4-YL}ACETIC ACID | C19H27NO4

2-{1-[(TERT-BUTOXY)CARBONYL]-4-(3-METHYLPHENYL)PIPERIDIN-4-YL}ACETIC ACID

  • Molecular FormulaC19H27NO4
  • Average mass333.422 Da
  • Monoisotopic mass333.194000 Da
  • ChemSpider ID29738834

More details:

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

[4-(3-Methylphenyl)-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-4-piperidinyl]acetic acid [ACD/IUPAC Name]
[4-(3-Methylphenyl)-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-4-piperidinyl]essigsäure [German] [ACD/IUPAC Name]
1439902-39-2 [RN]
2-{1-[(TERT-BUTOXY)CARBONYL]-4-(3-METHYLPHENYL)PIPERIDIN-4-YL}ACETIC ACID
4-Piperidineacetic acid, 1-[(1,1-dimethylethoxy)carbonyl]-4-(3-methylphenyl)- [ACD/Index Name]
Acide [4-(3-méthylphényl)-1-{[(2-méthyl-2-propanyl)oxy]carbonyl}-4-pipéridinyl]acétique [French] [ACD/IUPAC Name]
[1-(TERT-BUTOXYCARBONYL)-4-(3-METHYLPHENYL)PIPERIDIN-4-YL]ACETIC ACID
2-(1-(tert-Butoxycarbonyl)-4-(m-tolyl)piperidin-4-yl)acetic acid
2-[1-(tert-Butoxycarbonyl)-4-m-tolylpiperidin-4-yl]acetic acid
KS-8268
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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: 477.3±38.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 78.1±3.0 kJ/mol
    Flash Point: 242.5±26.8 °C
    Index of Refraction: 1.531
    Molar Refractivity: 91.5±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 3.52
    ACD/LogD (pH 5.5): 2.85
    ACD/BCF (pH 5.5): 52.76
    ACD/KOC (pH 5.5): 330.56
    ACD/LogD (pH 7.4): 1.05
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 5.21
    Polar Surface Area: 67 Å2
    Polarizability: 36.3±0.5 10-24cm3
    Surface Tension: 43.5±3.0 dyne/cm
    Molar Volume: 295.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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