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Search term: NEEUHMCLVMVASY-JBAPVGOWSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (4aS,9bS)-12-methyl-2,3,4,4a-tetrahydro-1H-4,9b-(epiminoethano)dibenzo[b,d]furan-6-ol | C15H19NO2

(4aS,9bS)-12-methyl-2,3,4,4a-tetrahydro-1H-4,9b-(epiminoethano)dibenzo[b,d]furan-6-ol

  • Molecular FormulaC15H19NO2
  • Average mass245.317 Da
  • Monoisotopic mass245.141586 Da
  • ChemSpider ID23233892

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(1S,9S)-11-Methyl-8-oxa-11-azatetracyclo[8.3.3.01,9.02,7]hexadeca-2,4,6-trien-6-ol [German] [ACD/IUPAC Name]
(1S,9S)-11-Methyl-8-oxa-11-azatetracyclo[8.3.3.01,9.02,7]hexadeca-2,4,6-trien-6-ol [ACD/IUPAC Name]
(1S,9S)-11-Méthyl-8-oxa-11-azatétracyclo[8.3.3.01,9.02,7]hexadéca-2,4,6-trién-6-ol [French] [ACD/IUPAC Name]
(4aS,9bS)-12-methyl-2,3,4,4a-tetrahydro-1H-4,9b-(epiminoethano)dibenzo[b,d]furan-6-ol
2H-1,4a-Propanobenzofuro[2,3-c]pyridin-8-ol, 1,3,4,9a-tetrahydro-2-methyl-, (4aS,9aS)- [ACD/Index Name]
11-methyl-(9S)-8-oxa-11-azatetracyclo[8.3.3.01,9.02,7]hexadeca-2(7),3,5-trien-6-ol

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

Density: 1.3±0.1 g/cm3
Boiling Point: 390.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 66.5±3.0 kJ/mol
Flash Point: 190.1±27.9 °C
Index of Refraction: 1.641
Molar Refractivity: 69.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.66
ACD/LogD (pH 5.5): -0.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.76
ACD/BCF (pH 7.4): 1.19
ACD/KOC (pH 7.4): 18.76
Polar Surface Area: 33 Å2
Polarizability: 27.5±0.5 10-24cm3
Surface Tension: 56.7±5.0 dyne/cm
Molar Volume: 192.4±5.0 cm3

Click to predict properties on the Chemicalize site


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