ChemSpider 2D Image | Ethyl 1-[3-(adamantan-1-yloxy)-2-hydroxypropyl]-4-piperidinecarboxylate | C21H35NO4

Ethyl 1-[3-(adamantan-1-yloxy)-2-hydroxypropyl]-4-piperidinecarboxylate

  • Molecular FormulaC21H35NO4
  • Average mass365.507 Da
  • Monoisotopic mass365.256622 Da
  • ChemSpider ID21512829

More details:

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

1-[3-(Adamantan-1-yloxy)-2-hydroxypropyl]-4-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
4-Piperidinecarboxylic acid, 1-[2-hydroxy-3-(tricyclo[3.3.1.13,7]dec-1-yloxy)propyl]-, ethyl ester [ACD/Index Name]
Ethyl 1-[3-(adamantan-1-yloxy)-2-hydroxypropyl]-4-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-1-[3-(adamantan-1-yloxy)-2-hydroxypropyl]-4-piperidincarboxylat [German] [ACD/IUPAC Name]
1-[3-(Adamantan-1-yloxy)-2-hydroxy-propyl]-piperidine-4-carboxylic acid ethyl ester

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

Density: 1.2±0.1 g/cm3
Boiling Point: 485.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 86.5±6.0 kJ/mol
Flash Point: 247.3±28.7 °C
Index of Refraction: 1.548
Molar Refractivity: 100.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.01
ACD/LogD (pH 5.5): 1.65
ACD/BCF (pH 5.5): 3.27
ACD/KOC (pH 5.5): 20.39
ACD/LogD (pH 7.4): 3.31
ACD/BCF (pH 7.4): 151.68
ACD/KOC (pH 7.4): 944.61
Polar Surface Area: 59 Å2
Polarizability: 39.7±0.5 10-24cm3
Surface Tension: 47.9±5.0 dyne/cm
Molar Volume: 314.9±5.0 cm3

Click to predict properties on the Chemicalize site


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