ChemSpider 2D Image | (1R,9R,10R)-16-Methyl-6,14-diazatetracyclo[7.5.3.0~1,10~.0~2,7~]heptadeca-2(7),3,16-trien-5-one | C16H20N2O

(1R,9R,10R)-16-Methyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,16-trien-5-one

  • Molecular FormulaC16H20N2O
  • Average mass256.343 Da
  • Monoisotopic mass256.157562 Da
  • ChemSpider ID16744040
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(1R,9R,10R)-16-Methyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,16-trien-5-on [German] [ACD/IUPAC Name]
(1R,9R,10R)-16-Methyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,16-trien-5-one [ACD/IUPAC Name]
(1R,9R,10R)-16-Méthyl-6,14-diazatétracyclo[7.5.3.01,10.02,7]heptadéca-2(7),3,16-trién-5-one [French] [ACD/IUPAC Name]
1H-5,10b-[1]Propeno-1,7-phenanthrolin-8(7H)-one, 2,3,4,4a,5,6-hexahydro-12-methyl-, (4aR,5R,10bR)- [ACD/Index Name]
(-)-Huperzine B
(1R,9R,10R)-16-METHYL-6,14-DIAZATETRACYCLO[7.5.3.0–,–?.0ì,?]HEPTADECA-2(7),3,16-TRIEN-5-ONE
[103548-82-9]
103548-82-9 [RN]
1-MONOHEXANOYL-2-HYDROXY-SN-GLYCERO-3-PHOSPHATE
CHEMBL245079
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 533.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.0±3.0 kJ/mol
Flash Point: 216.4±30.3 °C
Index of Refraction: 1.624
Molar Refractivity: 74.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.98
ACD/LogD (pH 5.5): -0.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.13
Polar Surface Area: 41 Å2
Polarizability: 29.5±0.5 10-24cm3
Surface Tension: 49.3±5.0 dyne/cm
Molar Volume: 210.7±5.0 cm3

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