ChemSpider 2D Image | 6-Chloro-N-[3-(4-{(2R)-2-[methyl(2-propyn-1-yl)amino]propyl}phenoxy)propyl]-1,2,3,4-tetrahydro-9-acridinamine | C29H34ClN3O

6-Chloro-N-[3-(4-{(2R)-2-[methyl(2-propyn-1-yl)amino]propyl}phenoxy)propyl]-1,2,3,4-tetrahydro-9-acridinamine

  • Molecular FormulaC29H34ClN3O
  • Average mass476.053 Da
  • Monoisotopic mass475.239044 Da
  • ChemSpider ID29416512

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

6-Chlor-N-[3-(4-{(2R)-2-[methyl(2-propin-1-yl)amino]propyl}phenoxy)propyl]-1,2,3,4-tetrahydro-9-acridinamin [German] [ACD/IUPAC Name]
6-Chloro-N-[3-(4-{(2R)-2-[methyl(2-propyn-1-yl)amino]propyl}phenoxy)propyl]-1,2,3,4-tetrahydro-9-acridinamine [ACD/IUPAC Name]
6-Chloro-N-[3-(4-{(2R)-2-[méthyl(2-propyn-1-yl)amino]propyl}phénoxy)propyl]-1,2,3,4-tétrahydro-9-acridinamine [French] [ACD/IUPAC Name]
9-Acridinamine, 6-chloro-1,2,3,4-tetrahydro-N-[3-[4-[(2R)-2-(methyl-2-propyn-1-ylamino)propyl]phenoxy]propyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 660.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.2±3.0 kJ/mol
Flash Point: 353.5±31.5 °C
Index of Refraction: 1.629
Molar Refractivity: 143.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 7.27
ACD/LogD (pH 5.5): 3.15
ACD/BCF (pH 5.5): 21.56
ACD/KOC (pH 5.5): 32.29
ACD/LogD (pH 7.4): 6.07
ACD/BCF (pH 7.4): 17816.02
ACD/KOC (pH 7.4): 26681.83
Polar Surface Area: 37 Å2
Polarizability: 56.8±0.5 10-24cm3
Surface Tension: 50.6±3.0 dyne/cm
Molar Volume: 403.2±3.0 cm3

Click to predict properties on the Chemicalize site


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