ChemSpider 2D Image | (7S,10E)-10-(Butyliminio)-7-[(2-hydroxybenzyl)(methyl)amino]-1,2,3-trimethoxy-5,6,7,10-tetrahydrobenzo[a]heptalen-9-olate | C31H38N2O5

(7S,10E)-10-(Butyliminio)-7-[(2-hydroxybenzyl)(methyl)amino]-1,2,3-trimethoxy-5,6,7,10-tetrahydrobenzo[a]heptalen-9-olate

  • Molecular FormulaC31H38N2O5
  • Average mass518.644 Da
  • Monoisotopic mass518.278076 Da
  • ChemSpider ID21336061

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(7S,10E)-10-(Butyliminio)-7-[(2-hydroxybenzyl)(methyl)amino]-1,2,3-trimethoxy-5,6,7,10-tetrahydrobenzo[a]heptalen-9-olat [German] [ACD/IUPAC Name]
(7S,10E)-10-(Butyliminio)-7-[(2-hydroxybenzyl)(methyl)amino]-1,2,3-trimethoxy-5,6,7,10-tetrahydrobenzo[a]heptalen-9-olate [ACD/IUPAC Name]
(7S,10E)-10-(Butyliminio)-7-[(2-hydroxybenzyl)(méthyl)amino]-1,2,3-triméthoxy-5,6,7,10-tétrahydrobenzo[a]heptalén-9-olate [French] [ACD/IUPAC Name]
Benzo[a]heptalen-9-ol, 10-(butylimino)-5,6,7,10-tetrahydro-7-[[(2-hydroxyphenyl)methyl]methylamino]-1,2,3-trimethoxy-, (7S,10E)- [ACD/Index Name]
(7S)-10-(butylamino)-7-[(2-hydroxyphenyl)methyl-methylamino]-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one
1214632-48-0 [RN]
AC1O40E6
MolPort-000-726-371
MolPort-002-514-038
STOCK1N-25492

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

    Density:
    Boiling Point: 714.7±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 109.7±3.0 kJ/mol
    Flash Point: 386.0±32.9 °C
    Index of Refraction:
    Molar Refractivity:
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 1
    ACD/LogP: 4.67
    ACD/LogD (pH 5.5): 3.06
    ACD/BCF (pH 5.5): 61.44
    ACD/KOC (pH 5.5): 289.71
    ACD/LogD (pH 7.4): 4.04
    ACD/BCF (pH 7.4): 594.76
    ACD/KOC (pH 7.4): 2804.42
    Polar Surface Area: 88 Å2
    Polarizability:
    Surface Tension:
    Molar Volume:

    Click to predict properties on the Chemicalize site


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