ChemSpider 2D Image | [3-(3,4-Dihydro-2(1H)-isoquinolinyl)propyl](ethyl)sulfoniumolate | C14H21NOS

[3-(3,4-Dihydro-2(1H)-isoquinolinyl)propyl](ethyl)sulfoniumolate

  • Molecular FormulaC14H21NOS
  • Average mass251.388 Da
  • Monoisotopic mass251.134384 Da
  • ChemSpider ID34983977

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[3-(3,4-Dihydro-2(1H)-isochinolinyl)propyl](ethyl)sulfoniumolat [German] [ACD/IUPAC Name]
[3-(3,4-Dihydro-2(1H)-isoquinoléinyl)propyl](éthyl)sulfoniumolate [French] [ACD/IUPAC Name]
[3-(3,4-Dihydro-2(1H)-isoquinolinyl)propyl](ethyl)sulfoniumolate [ACD/IUPAC Name]
Sulfonium, [3-(3,4-dihydro-2(1H)-isoquinolinyl)propyl]ethylhydroxy-, inner salt [ACD/Index Name]
37517-33-2 [RN]
esproquin
UNII-3JYK9XFM9K

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

SQ3W11R1HS [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.576
Molar Refractivity: 74.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 6
#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: 26 Å2
Polarizability: 29.4±0.5 10-24cm3
Surface Tension: 48.9±3.0 dyne/cm
Molar Volume: 223.9±3.0 cm3

Click to predict properties on the Chemicalize site


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