Found 259 results

Search term: MF = 'C_{20}H_{29}NO_{2}S'
ChemSpider 2D Image | Ethyl 4-(cyclopropylmethyl)-1-[4-(methylsulfanyl)benzyl]-4-piperidinecarboxylate | C20H29NO2S

Ethyl 4-(cyclopropylmethyl)-1-[4-(methylsulfanyl)benzyl]-4-piperidinecarboxylate

  • Molecular FormulaC20H29NO2S
  • Average mass347.515 Da
  • Monoisotopic mass347.191895 Da
  • ChemSpider ID22244835

More details:

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

4-(Cyclopropylméthyl)-1-[4-(méthylsulfanyl)benzyl]-4-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
4-Piperidinecarboxylic acid, 4-(cyclopropylmethyl)-1-[[4-(methylthio)phenyl]methyl]-, ethyl ester [ACD/Index Name]
Ethyl 4-(cyclopropylmethyl)-1-[4-(methylsulfanyl)benzyl]-4-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-4-(cyclopropylmethyl)-1-[4-(methylsulfanyl)benzyl]-4-piperidincarboxylat [German] [ACD/IUPAC Name]
ethyl 4-(cyclopropylmethyl)-1-[4-(methylthio)benzyl]-4-piperidinecarboxylate
ETHYL 4-(CYCLOPROPYLMETHYL)-1-{[4-(METHYLSULFANYL)PHENYL]METHYL}PIPERIDINE-4-CARBOXYLATE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 442.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.0±3.0 kJ/mol
Flash Point: 221.3±28.7 °C
Index of Refraction: 1.577
Molar Refractivity: 101.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.48
ACD/LogD (pH 5.5): 2.41
ACD/BCF (pH 5.5): 10.98
ACD/KOC (pH 5.5): 41.60
ACD/LogD (pH 7.4): 4.12
ACD/BCF (pH 7.4): 558.41
ACD/KOC (pH 7.4): 2115.91
Polar Surface Area: 55 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 47.5±5.0 dyne/cm
Molar Volume: 305.7±5.0 cm3

Click to predict properties on the Chemicalize site


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