ChemSpider 2D Image | tert-butyl 6-(hydroxymethyl)-5H,6H,7H,8H,9H-imidazo[1,2-a][1,4]diazepine-8-carboxylate | C13H21N3O3

tert-butyl 6-(hydroxymethyl)-5H,6H,7H,8H,9H-imidazo[1,2-a][1,4]diazepine-8-carboxylate

  • Molecular FormulaC13H21N3O3
  • Average mass267.324 Da
  • Monoisotopic mass267.158295 Da
  • ChemSpider ID28601026

More details:

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

1251017-49-8 [RN]
2-Methyl-2-propanyl 6-(hydroxymethyl)-6,7-dihydro-5H-imidazo[1,2-a][1,4]diazepine-8(9H)-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-6-(hydroxymethyl)-6,7-dihydro-5H-imidazo[1,2-a][1,4]diazepin-8(9H)-carboxylat [German] [ACD/IUPAC Name]
5H-Imidazo[1,2-a][1,4]diazepine-8(9H)-carboxylic acid, 6,7-dihydro-6-(hydroxymethyl)-, 1,1-dimethylethyl ester [ACD/Index Name]
6-(Hydroxyméthyl)-6,7-dihydro-5H-imidazo[1,2-a][1,4]diazépine-8(9H)-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-butyl 6-(hydroxymethyl)-5H,6H,7H,8H,9H-imidazo[1,2-a][1,4]diazepine-8-carboxylate
5-Hydroxymethyl-5,6-dihydro-4H,8H-1,3a,7-triaza-azulene-7-carboxylic acid tert-butyl ester
AM805360
MFCD18792188
tert-butyl 6-(hydroxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxylate
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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: 457.4±20.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 75.6±3.0 kJ/mol
    Flash Point: 230.4±21.8 °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: -0.40
    ACD/LogD (pH 5.5): -0.95
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.59
    ACD/LogD (pH 7.4): 0.35
    ACD/BCF (pH 7.4): 1.01
    ACD/KOC (pH 7.4): 32.04
    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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