ChemSpider 2D Image | tert-Butyl 4-(benzylamino)azepane-1-carboxylate | C18H28N2O2

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

  • Molecular FormulaC18H28N2O2
  • Average mass304.427 Da
  • Monoisotopic mass304.215088 Da
  • ChemSpider ID23499594

More details:

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

1H-Azepine-1-carboxylic acid, hexahydro-4-[(phenylmethyl)amino]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-(benzylamino)-1-azepanecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-(benzylamino)-1-azepancarboxylat [German] [ACD/IUPAC Name]
4-(Benzylamino)-1-azépanecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-Butyl 4-(benzylamino)azepane-1-carboxylate
1391730-07-6 [RN]
1391730-08-7 [RN]
4-benzylaminoazepane-1-carboxylic acid tert-butyl ester
878630-66-1 [RN]
MFCD14586404 [MDL number]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

MFCD07371372 [DBID]

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 413.6±38.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 66.6±3.0 kJ/mol
    Flash Point: 203.9±26.8 °C
    Index of Refraction: 1.539
    Molar Refractivity: 89.7±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 3.28
    ACD/LogD (pH 5.5): 0.36
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.58
    ACD/LogD (pH 7.4): 1.54
    ACD/BCF (pH 7.4): 3.21
    ACD/KOC (pH 7.4): 24.31
    Polar Surface Area: 42 Å2
    Polarizability: 35.5±0.5 10-24cm3
    Surface Tension: 42.2±5.0 dyne/cm
    Molar Volume: 286.2±5.0 cm3

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