ChemSpider 2D Image | tert-Butyl 3-(aminomethyl)-6,7-dihydroisoxazolo[4,5-c]pyridine-5(4H)-carboxylate | C12H19N3O3

tert-Butyl 3-(aminomethyl)-6,7-dihydroisoxazolo[4,5-c]pyridine-5(4H)-carboxylate

  • Molecular FormulaC12H19N3O3
  • Average mass253.298 Da
  • Monoisotopic mass253.142639 Da
  • ChemSpider ID28601142

More details:

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

1250997-56-8 [RN]
2-Methyl-2-propanyl 3-(aminomethyl)-6,7-dihydro[1,2]oxazolo[4,5-c]pyridine-5(4H)-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-(aminomethyl)-6,7-dihydro[1,2]oxazolo[4,5-c]pyridin-5(4H)-carboxylat [German] [ACD/IUPAC Name]
3-(Aminométhyl)-6,7-dihydro[1,2]oxazolo[4,5-c]pyridine-5(4H)-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
Isoxazolo[4,5-c]pyridine-5(4H)-carboxylic acid, 3-(aminomethyl)-6,7-dihydro-, 1,1-dimethylethyl ester [ACD/Index Name]
tert-Butyl 3-(aminomethyl)-6,7-dihydroisoxazolo[4,5-c]pyridine-5(4H)-carboxylate
3-Aminomethyl-6,7-dihydro-4H-isoxazolo[4,5-c]pyridine-5-carboxylic acid t-butyl ester
3-aminomethyl-6,7-dihydro-4h-isoxazolo[4,5-c]pyridine-5-carboxylic acid tert-butyl ester
3-Aminomethyl-6,7-dihydro-4H-isoxazolo[4,5-c]pyridine-5-carboxylicacidtert-butylester
AKOS017548798
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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: 398.8±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 64.9±3.0 kJ/mol
    Flash Point: 195.0±27.9 °C
    Index of Refraction: 1.536
    Molar Refractivity: 65.7±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: -0.16
    ACD/LogD (pH 5.5): -1.39
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 0.24
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 21.74
    Polar Surface Area: 82 Å2
    Polarizability: 26.0±0.5 10-24cm3
    Surface Tension: 50.0±3.0 dyne/cm
    Molar Volume: 210.5±3.0 cm3

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