ChemSpider 2D Image | tert-butyl 3-(hydroxymethyl)-8-methyl-8,9-dihydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7(6H)-carboxylate | C13H22N4O3

tert-butyl 3-(hydroxymethyl)-8-methyl-8,9-dihydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7(6H)-carboxylate

  • Molecular FormulaC13H22N4O3
  • Average mass282.339 Da
  • Monoisotopic mass282.169189 Da
  • ChemSpider ID60599251

More details:

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

2177258-47-6 [RN]
2-Methyl-2-propanyl 3-(hydroxymethyl)-8-methyl-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-(hydroxymethyl)-8-methyl-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-carboxylat [German] [ACD/IUPAC Name]
3-(Hydroxyméthyl)-8-méthyl-5,6,8,9-tétrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazépine-7-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
7H-1,2,4-Triazolo[4,3-d][1,4]diazepine-7-carboxylic acid, 5,6,8,9-tetrahydro-3-(hydroxymethyl)-8-methyl-, 1,1-dimethylethyl ester [ACD/Index Name]
tert-butyl 3-(hydroxymethyl)-8-methyl-8,9-dihydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7(6H)-carboxylate
Tert-Butyl 3-(Hydroxymethyl)-8-Methyl-8,9-Dihydro-5H-[1,2,4]Triazolo[4,3-D][1,4]Diazepine-7(6H)-Carboxylate(WX141879)

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 463.3±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 76.3±3.0 kJ/mol
    Flash Point: 234.0±31.5 °C
    Index of Refraction: 1.594
    Molar Refractivity: 74.3±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: -0.04
    ACD/LogD (pH 5.5): 0.49
    ACD/BCF (pH 5.5): 1.38
    ACD/KOC (pH 5.5): 43.92
    ACD/LogD (pH 7.4): 0.49
    ACD/BCF (pH 7.4): 1.39
    ACD/KOC (pH 7.4): 43.98
    Polar Surface Area: 80 Å2
    Polarizability: 29.4±0.5 10-24cm3
    Surface Tension: 45.9±7.0 dyne/cm
    Molar Volume: 218.9±7.0 cm3

    Click to predict properties on the Chemicalize site


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