ChemSpider 2D Image | N'-(5,7-Dimethyl-1,3-benzothiazol-2-yl)-N,N-dimethyl-1,2-ethanediamine | C13H19N3S

N'-(5,7-Dimethyl-1,3-benzothiazol-2-yl)-N,N-dimethyl-1,2-ethanediamine

  • Molecular FormulaC13H19N3S
  • Average mass249.375 Da
  • Monoisotopic mass249.129974 Da
  • ChemSpider ID26286615

More details:

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

1,2-Ethanediamine, N2-(5,7-dimethyl-2-benzothiazolyl)-N1,N1-dimethyl- [ACD/Index Name]
N'-(5,7-Dimethyl-1,3-benzothiazol-2-yl)-N,N-dimethyl-1,2-ethandiamin [German] [ACD/IUPAC Name]
N'-(5,7-Dimethyl-1,3-benzothiazol-2-yl)-N,N-dimethyl-1,2-ethanediamine [ACD/IUPAC Name]
N'-(5,7-Diméthyl-1,3-benzothiazol-2-yl)-N,N-diméthyl-1,2-éthanediamine [French] [ACD/IUPAC Name]
{2-[(5,7-dimethyl-1,3-benzothiazol-2-yl)amino]ethyl}dimethylamine
1333960-63-6 [RN]
AKOS015958102
F2145-0807
L-5201
MCULE-9725463893
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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: 364.9±44.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 61.1±3.0 kJ/mol
    Flash Point: 174.5±28.4 °C
    Index of Refraction: 1.640
    Molar Refractivity: 77.4±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.30
    ACD/LogD (pH 5.5): 0.29
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.49
    ACD/LogD (pH 7.4): 1.58
    ACD/BCF (pH 7.4): 3.68
    ACD/KOC (pH 7.4): 29.22
    Polar Surface Area: 56 Å2
    Polarizability: 30.7±0.5 10-24cm3
    Surface Tension: 48.6±3.0 dyne/cm
    Molar Volume: 215.0±3.0 cm3

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