ChemSpider 2D Image | 3-[4-(2-Methylbenzyl)-1,4-diazepan-1-yl]-1-propanamine | C16H27N3

3-[4-(2-Methylbenzyl)-1,4-diazepan-1-yl]-1-propanamine

  • Molecular FormulaC16H27N3
  • Average mass261.406 Da
  • Monoisotopic mass261.220490 Da
  • ChemSpider ID27097783

More details:

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

1H-1,4-Diazepine-1-propanamine, hexahydro-4-[(2-methylphenyl)methyl]- [ACD/Index Name]
3-[4-(2-Methylbenzyl)-1,4-diazepan-1-yl]-1-propanamin [German] [ACD/IUPAC Name]
3-[4-(2-Methylbenzyl)-1,4-diazepan-1-yl]-1-propanamine [ACD/IUPAC Name]
3-[4-(2-Méthylbenzyl)-1,4-diazépan-1-yl]-1-propanamine [French] [ACD/IUPAC Name]
{3-[4-(2-methylbenzyl)-1,4-diazepan-1-yl]propyl}amine
1094754-18-3 [RN]
1H-1,4-diazepine-1-propanamine, hexahydro-4-[(2-methylphenyl)methyl]
3-[4-(2-methylbenzyl)-1,4-diazepan-1-yl]propan-1-amine
3-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]propan-1-amine
MFCD12571405 [MDL number]

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 384.2±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 63.3±3.0 kJ/mol
    Flash Point: 183.4±22.7 °C
    Index of Refraction: 1.544
    Molar Refractivity: 81.7±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.72
    ACD/LogD (pH 5.5): -2.64
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.08
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 33 Å2
    Polarizability: 32.4±0.5 10-24cm3
    Surface Tension: 41.2±3.0 dyne/cm
    Molar Volume: 258.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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