ChemSpider 2D Image | [1-(2-Aminoethyl)-1H-1,2,3-triazol-4-yl](1-azepanyl)methanone | C11H19N5O

[1-(2-Aminoethyl)-1H-1,2,3-triazol-4-yl](1-azepanyl)methanone

  • Molecular FormulaC11H19N5O
  • Average mass237.301 Da
  • Monoisotopic mass237.158966 Da
  • ChemSpider ID35493472

More details:

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

(1-(2-Aminoethyl)-1H-1,2,3-triazol-4-yl)(azepan-1-yl)methanone
[1-(2-Aminoethyl)-1H-1,2,3-triazol-4-yl](1-azepanyl)methanon [German] [ACD/IUPAC Name]
[1-(2-Aminoethyl)-1H-1,2,3-triazol-4-yl](1-azepanyl)methanone [ACD/IUPAC Name]
[1-(2-Aminoéthyl)-1H-1,2,3-triazol-4-yl](1-azépanyl)méthanone [French] [ACD/IUPAC Name]
1465274-95-6 [RN]
Methanone, [1-(2-aminoethyl)-1H-1,2,3-triazol-4-yl](hexahydro-1H-azepin-1-yl)- [ACD/Index Name]
[1-(2-Amino-ethyl)-1H-[1,2,3]triazol-4-yl]-azepan-1-yl-methanone
[1-(2-aminoethyl)triazol-4-yl]-(azepan-1-yl)methanone
AGN-PC-0GNF9D
AKOS015290645
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 443.0±51.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 70.1±3.0 kJ/mol
    Flash Point: 221.7±30.4 °C
    Index of Refraction: 1.651
    Molar Refractivity: 64.9±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: -1.18
    ACD/LogD (pH 5.5): -3.47
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.84
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 77 Å2
    Polarizability: 25.7±0.5 10-24cm3
    Surface Tension: 57.7±7.0 dyne/cm
    Molar Volume: 177.8±7.0 cm3

    Click to predict properties on the Chemicalize site


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