ChemSpider 2D Image | (S)-N-((S)-quinuclidin-3-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide | C18H24N2O

(S)-N-((S)-quinuclidin-3-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide

  • Molecular FormulaC18H24N2O
  • Average mass284.396 Da
  • Monoisotopic mass284.188873 Da
  • ChemSpider ID18834240

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S)-N-[(3S)-1-Azabicyclo[2.2.2]oct-3-yl]-1,2,3,4-tétrahydro-1-naphtalènecarboxamide [French] [ACD/IUPAC Name]
(1S)-N-[(3S)-1-Azabicyclo[2.2.2]oct-3-yl]-1,2,3,4-tetrahydro-1-naphthalenecarboxamide [ACD/IUPAC Name]
(1S)-N-[(3S)-1-Azabicyclo[2.2.2]oct-3-yl]-1,2,3,4-tetrahydro-1-naphthalincarboxamid [German] [ACD/IUPAC Name]
(S)-N-((S)-quinuclidin-3-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
177793-79-2 [RN]
1-Naphthalenecarboxamide, N-[(3S)-1-azabicyclo[2.2.2]oct-3-yl]-1,2,3,4-tetrahydro-, (1S)- [ACD/Index Name]
(1S)-N-(3S)-1-Azabicyclo[2.2.2]oct-3-yl-1,2,3,4-tetrahydro-1-naphthalenecarboxamide
(1S)-N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
[177793-81-6] [RN]
[S-(R*,R*)]-N-1-Azabicyclo[2.2.2]oct-3-yl-1,2,3,4-tetrahydro-1-naphthalenecarboxamide
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 495.3±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.3±3.0 kJ/mol
Flash Point: 253.3±25.7 °C
Index of Refraction: 1.606
Molar Refractivity: 83.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.61
ACD/LogD (pH 5.5): -0.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.21
Polar Surface Area: 32 Å2
Polarizability: 33.2±0.5 10-24cm3
Surface Tension: 50.6±5.0 dyne/cm
Molar Volume: 242.9±5.0 cm3

Click to predict properties on the Chemicalize site


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