ChemSpider 2D Image | (5aR)-6-Propyl-4,5,5a,6,7,8-hexahydro[1,3]thiazolo[4,5-f]quinolin-2-amine | C13H19N3S

(5aR)-6-Propyl-4,5,5a,6,7,8-hexahydro[1,3]thiazolo[4,5-f]quinolin-2-amine

  • Molecular FormulaC13H19N3S
  • Average mass249.375 Da
  • Monoisotopic mass249.129974 Da
  • ChemSpider ID23223336
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(5aR)-6-Propyl-4,5,5a,6,7,8-hexahydro[1,3]thiazolo[4,5-f]chinolin-2-amin [German] [ACD/IUPAC Name]
(5aR)-6-Propyl-4,5,5a,6,7,8-hexahydro[1,3]thiazolo[4,5-f]quinoléin-2-amine [French] [ACD/IUPAC Name]
(5aR)-6-Propyl-4,5,5a,6,7,8-hexahydro[1,3]thiazolo[4,5-f]quinolin-2-amine [ACD/IUPAC Name]
Thiazolo[4,5-f]quinolin-2-amine, 4,5,5a,6,7,8-hexahydro-6-propyl-, (5aR)- [ACD/Index Name]
(R)-6-Propyl-4,5,5a,6,7,8-hexahydro-thiazolo[4,5-f]quinolin-2-ylamine

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

Density: 1.2±0.1 g/cm3
Boiling Point: 445.5±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.3±3.0 kJ/mol
Flash Point: 223.2±25.4 °C
Index of Refraction: 1.629
Molar Refractivity: 72.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.32
ACD/LogD (pH 5.5): 1.18
ACD/BCF (pH 5.5): 2.42
ACD/KOC (pH 5.5): 30.51
ACD/LogD (pH 7.4): 2.28
ACD/BCF (pH 7.4): 30.65
ACD/KOC (pH 7.4): 386.57
Polar Surface Area: 70 Å2
Polarizability: 28.6±0.5 10-24cm3
Surface Tension: 58.3±5.0 dyne/cm
Molar Volume: 202.7±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement