ChemSpider 2D Image | 1-hydroxymethyl-6,7-dihydro-5h,9h-imidazo[1,5-a][1,4]diazepine-8-carboxylic acid tert-butyl ester | C13H21N3O3

1-hydroxymethyl-6,7-dihydro-5h,9h-imidazo[1,5-a][1,4]diazepine-8-carboxylic acid tert-butyl ester

  • Molecular FormulaC13H21N3O3
  • Average mass267.324 Da
  • Monoisotopic mass267.158295 Da
  • ChemSpider ID28601025

More details:

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

1-(Hydroxyméthyl)-6,7-dihydro-5H-imidazo[1,5-a][1,4]diazépine-8(9H)-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1251014-69-3 [RN]
1-hydroxymethyl-6,7-dihydro-5h,9h-imidazo[1,5-a][1,4]diazepine-8-carboxylic acid tert-butyl ester
2-Methyl-2-propanyl 1-(hydroxymethyl)-6,7-dihydro-5H-imidazo[1,5-a][1,4]diazepine-8(9H)-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-1-(hydroxymethyl)-6,7-dihydro-5H-imidazo[1,5-a][1,4]diazepin-8(9H)-carboxylat [German] [ACD/IUPAC Name]
5H-Imidazo[1,5-a][1,4]diazepine-8(9H)-carboxylic acid, 6,7-dihydro-1-(hydroxymethyl)-, 1,1-dimethylethyl ester [ACD/Index Name]
1-Hydroxymethyl-6,7-dihydro-5H,9H-imidazo[1,5-a][1,4]diazepine-8-carboxylic acid t-butyl ester
1-hydroxymethyl-6,7-dihydro-5h,9h-imidazo[1,5-a][1,4]diazepine-8-carboxylic acid tert-butyl ester(wx140100)
1-Hydroxymethyl-6,7-dihydro-5H,9H-imidazo[1,5-a][1,4]diazepine-8-carboxylicacidtert-butylester
AM805359
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 476.8±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 78.0±3.0 kJ/mol
    Flash Point: 242.1±27.3 °C
    Index of Refraction: 1.578
    Molar Refractivity: 71.4±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: -0.41
    ACD/LogD (pH 5.5): -0.16
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 12.32
    ACD/LogD (pH 7.4): 0.27
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 33.01
    Polar Surface Area: 68 Å2
    Polarizability: 28.3±0.5 10-24cm3
    Surface Tension: 45.2±7.0 dyne/cm
    Molar Volume: 215.0±7.0 cm3

    Click to predict properties on the Chemicalize site


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