ChemSpider 2D Image | tert-Butoxycarbonylamino-pyridin-3-yl-acetic acid | C12H16N2O4

tert-Butoxycarbonylamino-pyridin-3-yl-acetic acid

  • Molecular FormulaC12H16N2O4
  • Average mass252.266 Da
  • Monoisotopic mass252.111008 Da
  • ChemSpider ID21108057

More details:

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

({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)(3-pyridinyl)acetic acid [ACD/IUPAC Name]
({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)(3-pyridinyl)essigsäure [German] [ACD/IUPAC Name]
2-{[(TERT-BUTOXY)CARBONYL]AMINO}-2-(PYRIDIN-3-YL)ACETIC ACID
347187-29-5 [RN]
3-Pyridineacetic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]- [ACD/Index Name]
Acide ({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)(3-pyridinyl)acétique [French] [ACD/IUPAC Name]
tert-Butoxycarbonylamino-pyridin-3-yl-acetic acid
[(TERT-BUTOXYCARBONYL)AMINO](PYRIDIN-3-YL)ACETIC ACID
[347187-29-5] [RN]
13336-31-7 [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 440.9±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 73.6±3.0 kJ/mol
    Flash Point: 220.4±27.3 °C
    Index of Refraction: 1.534
    Molar Refractivity: 64.0±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.25
    ACD/LogD (pH 5.5): -1.26
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.41
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 89 Å2
    Polarizability: 25.4±0.5 10-24cm3
    Surface Tension: 49.3±3.0 dyne/cm
    Molar Volume: 205.7±3.0 cm3

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