ChemSpider 2D Image | 1-(7-Methoxy-1,3-benzodioxol-5-yl)-3-(1-piperidinyl)-1-propanone | C16H21NO4

1-(7-Methoxy-1,3-benzodioxol-5-yl)-3-(1-piperidinyl)-1-propanone

  • Molecular FormulaC16H21NO4
  • Average mass291.342 Da
  • Monoisotopic mass291.147064 Da
  • ChemSpider ID52085811

More details:

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

1-(7-Methoxy-1,3-benzodioxol-5-yl)-3-(1-piperidinyl)-1-propanon [German] [ACD/IUPAC Name]
1-(7-Methoxy-1,3-benzodioxol-5-yl)-3-(1-piperidinyl)-1-propanone [ACD/IUPAC Name]
1-(7-Méthoxy-1,3-benzodioxol-5-yl)-3-(1-pipéridinyl)-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 1-(7-methoxy-1,3-benzodioxol-5-yl)-3-(1-piperidinyl)- [ACD/Index Name]
33424-16-7 [RN]

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

R2T3BE1EUN [DBID]
UNII:R2T3BE1EUN [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 450.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.9±3.0 kJ/mol
Flash Point: 226.0±28.7 °C
Index of Refraction: 1.550
Molar Refractivity: 78.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.84
ACD/LogD (pH 5.5): -0.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.12
ACD/BCF (pH 7.4): 2.12
ACD/KOC (pH 7.4): 26.66
Polar Surface Area: 48 Å2
Polarizability: 31.1±0.5 10-24cm3
Surface Tension: 43.6±3.0 dyne/cm
Molar Volume: 246.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement