Found 40 results

Search term: MF = 'C_{20}H_{29}NO_{2}S_{2}'
ChemSpider 2D Image | Ethyl 3-benzyl-1-(1,4-dithiepan-6-yl)-3-piperidinecarboxylate | C20H29NO2S2

Ethyl 3-benzyl-1-(1,4-dithiepan-6-yl)-3-piperidinecarboxylate

  • Molecular FormulaC20H29NO2S2
  • Average mass379.580 Da
  • Monoisotopic mass379.163971 Da
  • ChemSpider ID22223289

More details:

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

3-Benzyl-1-(1,4-dithiépan-6-yl)-3-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
3-Piperidinecarboxylic acid, 1-(1,4-dithiepan-6-yl)-3-(phenylmethyl)-, ethyl ester [ACD/Index Name]
Ethyl 3-benzyl-1-(1,4-dithiepan-6-yl)-3-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-3-benzyl-1-(1,4-dithiepan-6-yl)-3-piperidincarboxylat [German] [ACD/IUPAC 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: 499.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.8±3.0 kJ/mol
Flash Point: 255.9±28.7 °C
Index of Refraction: 1.583
Molar Refractivity: 108.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.48
ACD/LogD (pH 5.5): 2.75
ACD/BCF (pH 5.5): 33.82
ACD/KOC (pH 5.5): 174.32
ACD/LogD (pH 7.4): 4.03
ACD/BCF (pH 7.4): 636.77
ACD/KOC (pH 7.4): 3282.24
Polar Surface Area: 80 Å2
Polarizability: 43.1±0.5 10-24cm3
Surface Tension: 48.1±3.0 dyne/cm
Molar Volume: 325.2±3.0 cm3

Click to predict properties on the Chemicalize site


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