ChemSpider 2D Image | PD-217,014 | C11H19NO2

PD-217,014

  • Molecular FormulaC11H19NO2
  • Average mass197.274 Da
  • Monoisotopic mass197.141586 Da
  • ChemSpider ID26333275
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

[(1R,3r,5S)-3-(Aminométhyl)bicyclo[3.2.0]hept-3-yl]acétate de méthyle [French] [ACD/IUPAC Name]
Bicyclo[3.2.0]heptane-3-acetic acid, 3-(aminomethyl)-, methyl ester, (1R,5S)- [ACD/Index Name]
Methyl [(1R,3r,5S)-3-(aminomethyl)bicyclo[3.2.0]hept-3-yl]acetate [ACD/IUPAC Name]
Methyl-[(1R,3r,5S)-3-(aminomethyl)bicyclo[3.2.0]hept-3-yl]acetat [German] [ACD/IUPAC Name]
PD-217,014 [Wiki]
444088-20-4 [RN]
methyl 2-((1R,3r,5S)-3-(aminomethyl)bicyclo[3.2.0]heptan-3-yl)acetate
PD-217014
UNII:K2T93E812G
UNII-K2T93E812G

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

Density: 1.1±0.1 g/cm3
Boiling Point: 271.0±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 50.9±3.0 kJ/mol
Flash Point: 131.8±17.4 °C
Index of Refraction: 1.495
Molar Refractivity: 54.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.51
ACD/LogD (pH 5.5): -1.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 52 Å2
Polarizability: 21.5±0.5 10-24cm3
Surface Tension: 42.7±3.0 dyne/cm
Molar Volume: 185.9±3.0 cm3

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