Found 241 results

Search term: MF = 'C_{13}H_{19}N_{3}O_{6}'
ChemSpider 2D Image | 3-{[4-(Hydroxymethyl)-3-methyl-2,6-dinitrophenyl]amino}pentan-2-ol | C13H19N3O6

3-{[4-(Hydroxymethyl)-3-methyl-2,6-dinitrophenyl]amino}pentan-2-ol

  • Molecular FormulaC13H19N3O6
  • Average mass313.306 Da
  • Monoisotopic mass313.127380 Da
  • ChemSpider ID65335190

More details:

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

127971-67-9 [RN]
3-{[4-(Hydroxymethyl)-3-methyl-2,6-dinitrophenyl]amino}-2-pentanol [German] [ACD/IUPAC Name]
3-{[4-(Hydroxymethyl)-3-methyl-2,6-dinitrophenyl]amino}-2-pentanol
3-{[4-(Hydroxyméthyl)-3-méthyl-2,6-dinitrophényl]amino}-2-pentanol [French] [ACD/IUPAC Name]
3-{[4-(Hydroxymethyl)-3-methyl-2,6-dinitrophenyl]amino}pentan-2-ol [ACD/IUPAC Name]
Benzenemethanol, 4-[(1-ethyl-2-hydroxypropyl)amino]-2-methyl-3,5-dinitro- [ACD/Index Name]
QY1&Y2&MR C1 BNW FNW D1Q [WLN]
MFCD31689855 [MDL number]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 544.1±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 86.6±3.0 kJ/mol
    Flash Point: 282.9±30.1 °C
    Index of Refraction: 1.625
    Molar Refractivity: 80.2±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 3
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 2.43
    ACD/LogD (pH 5.5): 2.35
    ACD/BCF (pH 5.5): 36.14
    ACD/KOC (pH 5.5): 453.74
    ACD/LogD (pH 7.4): 2.35
    ACD/BCF (pH 7.4): 36.14
    ACD/KOC (pH 7.4): 453.74
    Polar Surface Area: 144 Å2
    Polarizability: 31.8±0.5 10-24cm3
    Surface Tension: 62.8±3.0 dyne/cm
    Molar Volume: 227.0±3.0 cm3

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