ChemSpider 2D Image | UNII:VSM44B5G3G | C20H19N

UNII:VSM44B5G3G

  • Molecular FormulaC20H19N
  • Average mass273.372 Da
  • Monoisotopic mass273.151764 Da
  • ChemSpider ID23130640
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(6S,10bR)-6-(4-Ethinylphenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isochinolin [German] [ACD/IUPAC Name]
(6S,10bR)-6-(4-Éthynylphényl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoléine [French] [ACD/IUPAC Name]
(6S,10bR)-6-(4-Ethynylphenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline [ACD/IUPAC Name]
JNJ-7925476 FREE BASE
Pyrrolo[2,1-a]isoquinoline, 6-(4-ethynylphenyl)-1,2,3,5,6,10b-hexahydro-, (6S,10bR)- [ACD/Index Name]
UNII:VSM44B5G3G
129540-12-1 [RN]
6-(4-Ethynyl-phenyl)-1,2,3,5,6,10b-hexahydro-pyrrolo[2,1-a]isoquinoline
6-(4-Ethynyl-phenyl)-1,2,3,5,6,10b-hexahydro-pyrrolo[2,1-a]isoquinoline;HCl
HCl [Formula]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 403.3±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.5±3.0 kJ/mol
Flash Point: 176.5±22.3 °C
Index of Refraction: 1.652
Molar Refractivity: 86.1±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.24
ACD/LogD (pH 5.5): 1.80
ACD/BCF (pH 5.5): 3.15
ACD/KOC (pH 5.5): 13.89
ACD/LogD (pH 7.4): 3.46
ACD/BCF (pH 7.4): 144.90
ACD/KOC (pH 7.4): 639.27
Polar Surface Area: 3 Å2
Polarizability: 34.1±0.5 10-24cm3
Surface Tension: 53.8±5.0 dyne/cm
Molar Volume: 235.3±5.0 cm3

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