Found 3 results

Search term: NEMLPWNINZELKP (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 2-{[(2R)-2-Cyclopentyl-2-hydroxy-2-(2-thienyl)acetyl]oxy}-N,N-diethyl-N-methylethanaminium | C18H30NO3S


  • Molecular FormulaC18H30NO3S
  • Average mass340.500 Da
  • Monoisotopic mass340.194092 Da
  • ChemSpider ID34986474
  • Charge - Charge

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-{[(2R)-2-Cyclopentyl-2-hydroxy-2-(2-thienyl)acetyl]oxy}-N,N-diethyl-N-methylethanaminium [German] [ACD/IUPAC Name]
2-{[(2R)-2-Cyclopentyl-2-hydroxy-2-(2-thienyl)acetyl]oxy}-N,N-diethyl-N-methylethanaminium [ACD/IUPAC Name]
2-{[(2R)-2-Cyclopentyl-2-hydroxy-2-(2-thiényl)acétyl]oxy}-N,N-diéthyl-N-méthyléthanaminium [French] [ACD/IUPAC Name]
Ethanaminium, 2-[[(2R)-2-cyclopentyl-2-hydroxy-2-(2-thienyl)acetyl]oxy]-N,N-diethyl-N-methyl- [ACD/Index Name]
22064-27-3 [RN]
Penthienate [Wiki]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: -1.79
ACD/LogD (pH 5.5): -1.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.47
ACD/LogD (pH 7.4): -1.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.47
Polar Surface Area: 75 Å2
Surface Tension:
Molar Volume:

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