ChemSpider 2D Image | (1S,4R,6S,9S)-2-Hydroxy-4-methyl-13-azatetracyclo[7.7.0.0~1,6~.0~2,13~]hexadecan-8-one | C16H25NO2

(1S,4R,6S,9S)-2-Hydroxy-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadecan-8-one

  • Molecular FormulaC16H25NO2
  • Average mass263.375 Da
  • Monoisotopic mass263.188538 Da
  • ChemSpider ID58816106

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(1S,4R,6S,9S)-2-Hydroxy-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadecan-8-on [German] [ACD/IUPAC Name]
(1S,4R,6S,9S)-2-Hydroxy-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadecan-8-one [ACD/IUPAC Name]
(1S,4R,6S,9S)-2-Hydroxy-4-méthyl-13-azatétracyclo[7.7.0.01,6.02,13]hexadécan-8-one [French] [ACD/IUPAC Name]
1,9b-Propano-5H-indeno[7,1-bc]azepin-5-one, decahydro-9a-hydroxy-8-methyl-, (4aS,6aS,8R,9bS)- [ACD/Index Name]
15228-74-7 [RN]
Fawcettimine

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

Density: 1.2±0.1 g/cm3
Boiling Point: 406.9±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 76.1±6.0 kJ/mol
Flash Point: 199.9±27.3 °C
Index of Refraction: 1.580
Molar Refractivity: 73.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.54
ACD/LogD (pH 5.5): -0.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.81
ACD/BCF (pH 7.4): 1.33
ACD/KOC (pH 7.4): 21.11
Polar Surface Area: 41 Å2
Polarizability: 29.1±0.5 10-24cm3
Surface Tension: 50.2±5.0 dyne/cm
Molar Volume: 220.8±5.0 cm3

Click to predict properties on the Chemicalize site


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