ChemSpider 2D Image | MFCD09055394 | C11H18N4O4

MFCD09055394

  • Molecular FormulaC11H18N4O4
  • Average mass270.285 Da
  • Monoisotopic mass270.132813 Da
  • ChemSpider ID21636797

More details:

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

(5-{1-[(tert-butoxycarbonyl)amino]ethyl}-2H-1,2,4-triazol-3-yl)acetic acid
(5-{1-[(tert-butoxycarbonyl)amino]ethyl}-4H-1,2,4-triazol-3-yl)acetic acid
{3-[1-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)ethyl]-1H-1,2,4-triazol-5-yl}acetic acid [ACD/IUPAC Name]
{3-[1-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)ethyl]-1H-1,2,4-triazol-5-yl}essigsäure [German] [ACD/IUPAC Name]
2-[3-(1-{[(tert-butoxy)carbonyl]amino}ethyl)-1H-1,2,4-triazol-5-yl]acetic acid
2-[5-(1-{[(tert-butoxy)carbonyl]amino}ethyl)-1H-1,2,4-triazol-3-yl]acetic acid
4H-1,2,4-Triazole-3-acetic acid, 5-[1-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl]- [ACD/Index Name]
5-[1-[[(1,1-Dimethylethoxy)carbonyl]amino]ethyl]-1H-1,2,4-triazole-3-acetic acid
938459-15-5 [RN]
Acide {3-[1-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)éthyl]-1H-1,2,4-triazol-5-yl}acétique [French] [ACD/IUPAC Name]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 523.4±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 83.9±3.0 kJ/mol
    Flash Point: 270.4±25.9 °C
    Index of Refraction: 1.541
    Molar Refractivity: 66.0±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 3
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 0.55
    ACD/LogD (pH 5.5): -0.91
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.40
    ACD/LogD (pH 7.4): -2.61
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 117 Å2
    Polarizability: 26.2±0.5 10-24cm3
    Surface Tension: 56.3±3.0 dyne/cm
    Molar Volume: 210.1±3.0 cm3

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