ChemSpider 2D Image | tert-Butyl 4-(hydroxymethyl)azepane-1-carboxylate | C12H23NO3

tert-Butyl 4-(hydroxymethyl)azepane-1-carboxylate

  • Molecular FormulaC12H23NO3
  • Average mass229.316 Da
  • Monoisotopic mass229.167801 Da
  • ChemSpider ID24791819

More details:

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

1065608-51-6 [RN]
1H-Azepine-1-carboxylic acid, hexahydro-4-(hydroxymethyl)-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-(hydroxymethyl)-1-azepanecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-(hydroxymethyl)-1-azepancarboxylat [German] [ACD/IUPAC Name]
4-(Hydroxyméthyl)-1-azépanecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-Butyl 4-(hydroxymethyl)azepane-1-carboxylate
(2R)-2-amino-3-methyl-butan-1-ol;(R)-(-)-2-Amino-3-methyl-1-butanol
1-Boc-azepane-4-methanol
4-Hydroxymethyl-azepane-1-carboxylic acid tert-butyl ester
AGN-PC-0I2GH2
More...

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.0±0.1 g/cm3
    Boiling Point: 326.0±15.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 65.8±6.0 kJ/mol
    Flash Point: 150.9±20.4 °C
    Index of Refraction: 1.476
    Molar Refractivity: 62.3±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.28
    ACD/LogD (pH 5.5): 1.77
    ACD/BCF (pH 5.5): 13.13
    ACD/KOC (pH 5.5): 219.80
    ACD/LogD (pH 7.4): 1.77
    ACD/BCF (pH 7.4): 13.13
    ACD/KOC (pH 7.4): 219.80
    Polar Surface Area: 50 Å2
    Polarizability: 24.7±0.5 10-24cm3
    Surface Tension: 36.8±3.0 dyne/cm
    Molar Volume: 221.0±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement