ChemSpider 2D Image | (2R)-(2-Chloro-3-quinolinyl){[(1R)-1-(4-methoxyphenyl)ethyl]amino}acetonitrile | C20H18ClN3O

(2R)-(2-Chloro-3-quinolinyl){[(1R)-1-(4-methoxyphenyl)ethyl]amino}acetonitrile

  • Molecular FormulaC20H18ClN3O
  • Average mass351.829 Da
  • Monoisotopic mass351.113831 Da
  • ChemSpider ID24726509

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R)-(2-Chlor-3-chinolinyl){[(1R)-1-(4-methoxyphenyl)ethyl]amino}acetonitril [German] [ACD/IUPAC Name]
(2R)-(2-Chloro-3-quinoléinyl){[(1R)-1-(4-méthoxyphényl)éthyl]amino}acétonitrile [French] [ACD/IUPAC Name]
(2R)-(2-Chloro-3-quinolinyl){[(1R)-1-(4-methoxyphenyl)ethyl]amino}acetonitrile [ACD/IUPAC Name]
3-Quinolineacetonitrile, 2-chloro-α-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-, (αR)- [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: 533.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.9±3.0 kJ/mol
Flash Point: 276.2±30.1 °C
Index of Refraction: 1.629
Molar Refractivity: 100.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.17
ACD/LogD (pH 5.5): 3.82
ACD/BCF (pH 5.5): 468.71
ACD/KOC (pH 5.5): 2840.73
ACD/LogD (pH 7.4): 3.82
ACD/BCF (pH 7.4): 468.72
ACD/KOC (pH 7.4): 2840.82
Polar Surface Area: 58 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 52.0±3.0 dyne/cm
Molar Volume: 283.0±3.0 cm3

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