ChemSpider 2D Image | (3-{[(2S)-3-(4-Cyanophenoxy)-2-hydroxypropyl](ethyl)amino}propyl)(propyl)sulfoniumolate | C18H28N2O3S

(3-{[(2S)-3-(4-Cyanophenoxy)-2-hydroxypropyl](ethyl)amino}propyl)(propyl)sulfoniumolate

  • Molecular FormulaC18H28N2O3S
  • Average mass352.491 Da
  • Monoisotopic mass352.182068 Da
  • ChemSpider ID34991419

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3-{[(2S)-3-(4-Cyanophenoxy)-2-hydroxypropyl](ethyl)amino}propyl)(propyl)sulfoniumolate [ACD/IUPAC Name]
(3-{[(2S)-3-(4-Cyanophénoxy)-2-hydroxypropyl](éthyl)amino}propyl)(propyl)sulfoniumolate [French] [ACD/IUPAC Name]
(3-{[(2S)-3-(4-Cyanphenoxy)-2-hydroxypropyl](ethyl)amino}propyl)(propyl)sulfoniumolat [German] [ACD/IUPAC Name]
Sulfonium, [3-[[(2S)-3-(4-cyanophenoxy)-2-hydroxypropyl]ethylamino]propyl]hydroxypropyl-, inner salt [ACD/Index Name]
123955-10-2 [RN]
Almokalant [INN] [Wiki]
UNII-I9NG89L275

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.567
Molar Refractivity: 98.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 80 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 57.1±5.0 dyne/cm
Molar Volume: 300.8±5.0 cm3

Click to predict properties on the Chemicalize site


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