ChemSpider 2D Image | 3-hydroxymethyl-4,5,7,8-tetrahydro-1,2,3a,6-tetraaza-azulene-6-carboxylic acid tert-butyl ester | C12H20N4O3

3-hydroxymethyl-4,5,7,8-tetrahydro-1,2,3a,6-tetraaza-azulene-6-carboxylic acid tert-butyl ester

  • Molecular FormulaC12H20N4O3
  • Average mass268.312 Da
  • Monoisotopic mass268.153534 Da
  • ChemSpider ID28601012

More details:

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

1250998-08-3 [RN]
2-Methyl-2-propanyl 3-(hydroxymethyl)-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)-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-carboxylat [German] [ACD/IUPAC Name]
3-(Hydroxyméthyl)-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]
3-hydroxymethyl-4,5,7,8-tetrahydro-1,2,3a,6-tetraaza-azulene-6-carboxylic acid tert-butyl ester
7H-1,2,4-Triazolo[4,3-d][1,4]diazepine-7-carboxylic acid, 5,6,8,9-tetrahydro-3-(hydroxymethyl)-, 1,1-dimethylethyl ester [ACD/Index Name]
3-Hydroxymethyl-4,5,7,8-tetrahydro-1,2,3a,6-tetraaza-azulene-6-carboxylic acid t-butyl ester
3-hydroxymethyl-4,5,7,8-tetrahydro-1,2,3a,6-tetraaza-azulene-6-carboxylic acid tert-butyl ester(wx140085)
3-Hydroxymethyl-4,5,7,8-tetrahydro-1,2,3a,6-tetraaza-azulene-6-carboxylicacidtert-butylester
AM805339
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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: 462.2±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 76.2±3.0 kJ/mol
    Flash Point: 233.3±31.5 °C
    Index of Refraction: 1.602
    Molar Refractivity: 69.8±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: -0.53
    ACD/LogD (pH 5.5): -0.01
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 23.62
    ACD/LogD (pH 7.4): -0.01
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 23.65
    Polar Surface Area: 80 Å2
    Polarizability: 27.7±0.5 10-24cm3
    Surface Tension: 49.0±7.0 dyne/cm
    Molar Volume: 203.6±7.0 cm3

    Click to predict properties on the Chemicalize site


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