ChemSpider 2D Image | 1-(1,3-Benzodioxol-4-yl)-2-(methylamino)-1-pentanone | C13H17NO3

1-(1,3-Benzodioxol-4-yl)-2-(methylamino)-1-pentanone

  • Molecular FormulaC13H17NO3
  • Average mass235.279 Da
  • Monoisotopic mass235.120850 Da
  • ChemSpider ID52085071

More details:






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

1-(1,3-Benzodioxol-4-yl)-2-(methylamino)-1-pentanon [German] [ACD/IUPAC Name]
1-(1,3-Benzodioxol-4-yl)-2-(methylamino)-1-pentanone [ACD/IUPAC Name]
1-(1,3-Benzodioxol-4-yl)-2-(méthylamino)-1-pentanone [French] [ACD/IUPAC Name]
1-(1,3-BENZODIOXOL-4-YL)-2-(METHYLAMINO)PENTAN-1-ONE
1-Pentanone, 1-(1,3-benzodioxol-4-yl)-2-(methylamino)- [ACD/Index Name]

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

4849K23KMK [DBID]
UNII:4849K23KMK [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 364.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.1±3.0 kJ/mol
Flash Point: 174.2±27.9 °C
Index of Refraction: 1.535
Molar Refractivity: 64.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.13
ACD/LogD (pH 5.5): 0.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.80
ACD/LogD (pH 7.4): 1.53
ACD/BCF (pH 7.4): 7.49
ACD/KOC (pH 7.4): 125.57
Polar Surface Area: 48 Å2
Polarizability: 25.6±0.5 10-24cm3
Surface Tension: 43.4±3.0 dyne/cm
Molar Volume: 207.4±3.0 cm3

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