ChemSpider 2D Image | (2S)-(2-Chloro-3-quinolinyl){[(1S)-1-phenylethyl]amino}acetonitrile | C19H16ClN3

(2S)-(2-Chloro-3-quinolinyl){[(1S)-1-phenylethyl]amino}acetonitrile

  • Molecular FormulaC19H16ClN3
  • Average mass321.803 Da
  • Monoisotopic mass321.103271 Da
  • ChemSpider ID24735299

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-(2-Chlor-3-chinolinyl){[(1S)-1-phenylethyl]amino}acetonitril [German] [ACD/IUPAC Name]
(2S)-(2-Chloro-3-quinoléinyl){[(1S)-1-phényléthyl]amino}acétonitrile [French] [ACD/IUPAC Name]
(2S)-(2-Chloro-3-quinolinyl){[(1S)-1-phenylethyl]amino}acetonitrile [ACD/IUPAC Name]
3-Quinolineacetonitrile, 2-chloro-α-[[(1S)-1-phenylethyl]amino]-, (αS)- [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: 497.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.5±3.0 kJ/mol
Flash Point: 254.5±27.3 °C
Index of Refraction: 1.645
Molar Refractivity: 93.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.26
ACD/LogD (pH 5.5): 3.78
ACD/BCF (pH 5.5): 439.24
ACD/KOC (pH 5.5): 2711.76
ACD/LogD (pH 7.4): 3.78
ACD/BCF (pH 7.4): 439.25
ACD/KOC (pH 7.4): 2711.79
Polar Surface Area: 49 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 54.3±3.0 dyne/cm
Molar Volume: 259.0±3.0 cm3

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