Found 2102 results

Search term: MF = 'C_{14}H_{22}N_{4}O_{4}'
ChemSpider 2D Image | 3-Ethyl 7-(2-methyl-2-propanyl) 5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepine-3,7-dicarboxylate | C14H22N4O4

3-Ethyl 7-(2-methyl-2-propanyl) 5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepine-3,7-dicarboxylate

  • Molecular FormulaC14H22N4O4
  • Average mass310.349 Da
  • Monoisotopic mass310.164093 Da
  • ChemSpider ID48064109

More details:

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

3-Ethyl 7-(2-methyl-2-propanyl) 5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepine-3,7-dicarboxylate [ACD/IUPAC Name]
3-Ethyl-7-(2-methyl-2-propanyl)-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3,7-dicarboxylat [German] [ACD/IUPAC Name]
5,6,8,9-Tétrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazépine-3,7-dicarboxylate de 3-éthyle et de 7-(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
7H-1,2,4-Triazolo[4,3-d][1,4]diazepine-3,7-dicarboxylic acid, 5,6,8,9-tetrahydro-, 7-(1,1-dimethylethyl) 3-ethyl ester [ACD/Index Name]
1251001-31-6 [RN]
4,5,7,8-TEtrahydro-1,2,3A,6-Tetraaza-Azulene-3,6-Dicarboxylic Acid6-Tert-Butyl Ester3-Ethyl Ester
4,5,7,8-tetrahydro-1,2,3a,6-tetraaza-azulene-3,6-dicarboxylic acid6-tert-butyl ester3-ethyl ester(wx140170)
7-(tert-Butyl) 3-ethyl 5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepine-3,7-dicarboxylate
7-O-tert-butyl 3-O-ethyl 5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine-3,7-dicarboxylate
7-tert-butyl 3-ethyl 5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-d][1,4]diazepine-3,7-dicarboxylate
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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: 465.2±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 72.7±3.0 kJ/mol
    Flash Point: 235.1±31.5 °C
    Index of Refraction: 1.579
    Molar Refractivity: 80.3±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 0.87
    ACD/LogD (pH 5.5): 1.25
    ACD/BCF (pH 5.5): 5.26
    ACD/KOC (pH 5.5): 114.22
    ACD/LogD (pH 7.4): 1.25
    ACD/BCF (pH 7.4): 5.26
    ACD/KOC (pH 7.4): 114.22
    Polar Surface Area: 87 Å2
    Polarizability: 31.8±0.5 10-24cm3
    Surface Tension: 45.6±7.0 dyne/cm
    Molar Volume: 241.4±7.0 cm3

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