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

tert-Butyl 2-(hydroxymethyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carboxylate

  • Molecular FormulaC13H21N3O3
  • Average mass267.324 Da
  • Monoisotopic mass267.158295 Da
  • ChemSpider ID25072849

More details:

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

1135282-77-7 [RN]
2-(Hydroxyméthyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazépine-5(6H)-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl 2-(hydroxymethyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-2-(hydroxymethyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-carboxylat [German] [ACD/IUPAC Name]
4H-Pyrazolo[1,5-a][1,4]diazepine-5(6H)-carboxylic acid, 7,8-dihydro-2-(hydroxymethyl)-, 1,1-dimethylethyl ester [ACD/Index Name]
tert-Butyl 2-(hydroxymethyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carboxylate
[1135282-77-7] [RN]
10X-0603
AG-B-52057
AGN-PC-05VA8N
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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: 438.1±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 73.2±3.0 kJ/mol
    Flash Point: 218.8±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: -0.20
    ACD/LogD (pH 5.5): 0.63
    ACD/BCF (pH 5.5): 1.76
    ACD/KOC (pH 5.5): 52.09
    ACD/LogD (pH 7.4): 0.63
    ACD/BCF (pH 7.4): 1.76
    ACD/KOC (pH 7.4): 52.09
    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

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