ChemSpider 2D Image | N,3-Dimethyl-5-isoxazolemethanamine | C6H10N2O

N,3-Dimethyl-5-isoxazolemethanamine

  • Molecular FormulaC6H10N2O
  • Average mass126.156 Da
  • Monoisotopic mass126.079315 Da
  • ChemSpider ID21329687

More details:

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

401647-22-1 [RN]
5-Isoxazolemethanamine, N,3-dimethyl- [ACD/Index Name]
methyl[(3-methyl-1,2-oxazol-5-yl)methyl]amine
N,3-Dimethyl-5-isoxazolemethanamine
N-methyl-(3-methylisoxazol-5-ylmethyl)amine
N-Methyl-1-(3-methyl-1,2-oxazol-5-yl)methanamin [German] [ACD/IUPAC Name]
N-Methyl-1-(3-methyl-1,2-oxazol-5-yl)methanamine [ACD/IUPAC Name]
N-Méthyl-1-(3-méthyl-1,2-oxazol-5-yl)méthanamine [French] [ACD/IUPAC Name]
N-methyl-1-(3-methylisoxazol-5-yl)methanamine
[401647-22-1] [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]
MFCD08060065 [DBID]

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 197.9±25.0 °C at 760 mmHg
    Vapour Pressure: 0.4±0.4 mmHg at 25°C
    Enthalpy of Vaporization: 43.4±3.0 kJ/mol
    Flash Point: 73.5±23.2 °C
    Index of Refraction: 1.473
    Molar Refractivity: 34.6±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: -0.16
    ACD/LogD (pH 5.5): -2.32
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.67
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 3.51
    Polar Surface Area: 38 Å2
    Polarizability: 13.7±0.5 10-24cm3
    Surface Tension: 33.9±3.0 dyne/cm
    Molar Volume: 123.4±3.0 cm3

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