ChemSpider 2D Image | 1-[3-(Methylamino)propyl]-16-oxatetracyclo[7.6.1.0~2,7~.0~10,15~]hexadeca-2,4,6,10,12,14-hexaen-8-ol | C19H21NO2

1-[3-(Methylamino)propyl]-16-oxatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-8-ol

  • Molecular FormulaC19H21NO2
  • Average mass295.375 Da
  • Monoisotopic mass295.157227 Da
  • ChemSpider ID26501987

More details:

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

1-[3-(Methylamino)propyl]-16-oxatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-8-ol [German] [ACD/IUPAC Name]
1-[3-(Methylamino)propyl]-16-oxatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-8-ol [ACD/IUPAC Name]
1-[3-(Méthylamino)propyl]-16-oxatétracyclo[7.6.1.02,7.010,15]hexadéca-2,4,6,10,12,14-hexaén-8-ol [French] [ACD/IUPAC Name]
5,10-Epoxy-5H-dibenzo[a,d]cyclohepten-11-ol, 10,11-dihydro-5-[3-(methylamino)propyl]- [ACD/Index Name]
(5s,10s,11r)-5-[3-(methylamino)propyl]-10,11-dihydro-5h-5,10-epoxydibenzo[a,d][7]annulen-11-ol
5460-67-3 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 451.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.9±3.0 kJ/mol
Flash Point: 227.0±28.7 °C
Index of Refraction: 1.623
Molar Refractivity: 86.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.22
ACD/LogD (pH 5.5): -0.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.44
Polar Surface Area: 41 Å2
Polarizability: 34.2±0.5 10-24cm3
Surface Tension: 53.4±3.0 dyne/cm
Molar Volume: 244.8±3.0 cm3

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