ChemSpider 2D Image | 4-((4-Methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)aniline | C13H18F3N3

4-((4-Methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)aniline

  • Molecular FormulaC13H18F3N3
  • Average mass273.297 Da
  • Monoisotopic mass273.145294 Da
  • ChemSpider ID26403769

More details:

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

4-((4-Methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)aniline
4-[(4-Methyl-1-piperazinyl)methyl]-3-(trifluormethyl)anilin [German] [ACD/IUPAC Name]
4-[(4-Methyl-1-piperazinyl)methyl]-3-(trifluoromethyl)aniline [ACD/IUPAC Name]
4-[(4-Méthyl-1-pipérazinyl)méthyl]-3-(trifluorométhyl)aniline [French] [ACD/IUPAC Name]
694499-26-8 [RN]
Benzenamine, 4-[(4-methyl-1-piperazinyl)methyl]-3-(trifluoromethyl)- [ACD/Index Name]
[694499-26-8] [RN]
1-[4-Amino-2-(trifluoromethyl)benzyl]-4-methylpiperazine
3-Methyl-1H-indazol-6-amine [ACD/IUPAC Name]
3-Methyl-1H-Indazol-6-Ylamine
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]
MFCD00010635 [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 329.1±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 57.2±3.0 kJ/mol
    Flash Point: 152.9±27.9 °C
    Index of Refraction: 1.529
    Molar Refractivity: 68.7±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.09
    ACD/LogD (pH 5.5): -0.45
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.55
    ACD/LogD (pH 7.4): 1.21
    ACD/BCF (pH 7.4): 3.88
    ACD/KOC (pH 7.4): 70.00
    Polar Surface Area: 33 Å2
    Polarizability: 27.2±0.5 10-24cm3
    Surface Tension: 39.2±3.0 dyne/cm
    Molar Volume: 222.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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