ChemSpider 2D Image | (5S,6R)-6-Butyl-N,N-dimethyl-6,7-dihydro-5H-indeno[5,6-d][1,3]dioxol-5-amine | C16H23NO2

(5S,6R)-6-Butyl-N,N-dimethyl-6,7-dihydro-5H-indeno[5,6-d][1,3]dioxol-5-amine

  • Molecular FormulaC16H23NO2
  • Average mass261.359 Da
  • Monoisotopic mass261.172882 Da
  • ChemSpider ID23216309

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(5S,6R)-6-Butyl-N,N-dimethyl-6,7-dihydro-5H-indeno[5,6-d][1,3]dioxol-5-amin [German] [ACD/IUPAC Name]
(5S,6R)-6-Butyl-N,N-dimethyl-6,7-dihydro-5H-indeno[5,6-d][1,3]dioxol-5-amine [ACD/IUPAC Name]
(5S,6R)-6-Butyl-N,N-diméthyl-6,7-dihydro-5H-indéno[5,6-d][1,3]dioxol-5-amine [French] [ACD/IUPAC Name]
5H-Indeno[5,6-d]-1,3-dioxol-5-amine, 6-butyl-6,7-dihydro-N,N-dimethyl-, (5S,6R)- [ACD/Index Name]
(5S,6R)-6-butyl-N,N-dimethyl-2H,5H,6H,7H-indeno[5,6-d][1,3]dioxol-5-amine
(6-Butyl-6,7-dihydro-5H-indeno[5,6-d][1,3]dioxol-5-yl)-dimethyl-amine
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL344009/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 354.6±41.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.0±3.0 kJ/mol
Flash Point: 115.8±16.2 °C
Index of Refraction: 1.562
Molar Refractivity: 76.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.24
ACD/LogD (pH 5.5): 0.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.55
ACD/LogD (pH 7.4): 2.39
ACD/BCF (pH 7.4): 21.22
ACD/KOC (pH 7.4): 151.07
Polar Surface Area: 22 Å2
Polarizability: 30.2±0.5 10-24cm3
Surface Tension: 43.1±5.0 dyne/cm
Molar Volume: 235.3±5.0 cm3

Click to predict properties on the Chemicalize site


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