ChemSpider 2D Image | 3-Dimethylaminomethyl-5-methylhexan-2-one | C10H21NO

3-Dimethylaminomethyl-5-methylhexan-2-one

  • Molecular FormulaC10H21NO
  • Average mass171.280 Da
  • Monoisotopic mass171.162308 Da
  • ChemSpider ID23353592

More details:

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

2-Hexanone, 3-[(dimethylamino)methyl]-5-methyl- [ACD/Index Name]
3-((Dimethylamino)methyl)-5-methylhexan-2-one
3-[(Dimethylamino)methyl]-5-methyl-2-hexanon [German] [ACD/IUPAC Name]
3-[(Dimethylamino)methyl]-5-methyl-2-hexanone [ACD/IUPAC Name]
3-[(Diméthylamino)méthyl]-5-méthyl-2-hexanone [French] [ACD/IUPAC Name]
3-Dimethylaminomethyl-5-methylhexan-2-one
91342-74-4 [RN]
[91342-74-4] [RN]
2-HEXANONE 3-[(DIMETHYLAMINO)METHYL]-5-METHYL-
2-hydroxy-2-(3-hydroxyphenyl)acetic acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 0.9±0.1 g/cm3
    Boiling Point: 219.5±23.0 °C at 760 mmHg
    Vapour Pressure: 0.1±0.4 mmHg at 25°C
    Enthalpy of Vaporization: 45.6±3.0 kJ/mol
    Flash Point: 60.7±13.7 °C
    Index of Refraction: 1.437
    Molar Refractivity: 52.0±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.75
    ACD/LogD (pH 5.5): -1.25
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 0.18
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 6.20
    Polar Surface Area: 20 Å2
    Polarizability: 20.6±0.5 10-24cm3
    Surface Tension: 27.6±3.0 dyne/cm
    Molar Volume: 198.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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