ChemSpider 2D Image | 1-[7-(3-Methylbenzyl)-2,7-diazaspiro[4.5]dec-2-yl]-4-phenyl-1-butanone | C26H34N2O

1-[7-(3-Methylbenzyl)-2,7-diazaspiro[4.5]dec-2-yl]-4-phenyl-1-butanone

  • Molecular FormulaC26H34N2O
  • Average mass390.561 Da
  • Monoisotopic mass390.267120 Da
  • ChemSpider ID22194448

More details:






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

1-[7-(3-Methylbenzyl)-2,7-diazaspiro[4.5]dec-2-yl]-4-phenyl-1-butanon [German] [ACD/IUPAC Name]
1-[7-(3-Methylbenzyl)-2,7-diazaspiro[4.5]dec-2-yl]-4-phenyl-1-butanone [ACD/IUPAC Name]
1-[7-(3-Méthylbenzyl)-2,7-diazaspiro[4.5]déc-2-yl]-4-phényl-1-butanone [French] [ACD/IUPAC Name]
1-Butanone, 1-[7-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.5]dec-2-yl]-4-phenyl- [ACD/Index Name]
7-(3-methylbenzyl)-2-(4-phenylbutanoyl)-2,7-diazaspiro[4.5]decane

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 555.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.7±3.0 kJ/mol
Flash Point: 227.9±21.1 °C
Index of Refraction: 1.601
Molar Refractivity: 120.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.99
ACD/LogD (pH 5.5): 2.07
ACD/BCF (pH 5.5): 4.10
ACD/KOC (pH 5.5): 13.17
ACD/LogD (pH 7.4): 3.17
ACD/BCF (pH 7.4): 52.44
ACD/KOC (pH 7.4): 168.43
Polar Surface Area: 24 Å2
Polarizability: 47.6±0.5 10-24cm3
Surface Tension: 50.0±5.0 dyne/cm
Molar Volume: 350.4±5.0 cm3

Click to predict properties on the Chemicalize site






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