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Search term: GOFZQPREDCMUON-SVVPGJMFSA-N (Found by InChIKey (full match))

ChemSpider 2D Image | (1R,13E)-1-Amino-13-ethylidene-8,8,11-trimethyl-6-azatricyclo[7.3.1.0~2,7~]trideca-2,4,6,10-tetraen-5-ol | C17H22N2O

(1R,13E)-1-Amino-13-ethylidene-8,8,11-trimethyl-6-azatricyclo[7.3.1.02,7]trideca-2,4,6,10-tetraen-5-ol

  • Molecular FormulaC17H22N2O
  • Average mass270.369 Da
  • Monoisotopic mass270.173218 Da
  • ChemSpider ID23171652
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 2 defined stereocentres


More details:






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

(1R,13E)-1-Amino-13-ethyliden-8,8,11-trimethyl-6-azatricyclo[7.3.1.02,7]trideca-2,4,6,10-tetraen-5-ol [German] [ACD/IUPAC Name]
(1R,13E)-1-Amino-13-ethylidene-8,8,11-trimethyl-6-azatricyclo[7.3.1.02,7]trideca-2,4,6,10-tetraen-5-ol [ACD/IUPAC Name]
(1R,13E)-1-Amino-13-éthylidène-8,8,11-triméthyl-6-azatricyclo[7.3.1.02,7]tridéca-2,4,6,10-tétraén-5-ol [French] [ACD/IUPAC Name]
(5R,11E)-5-amino-11-ethylidene-7,10,10-trimethyl-5,6,9,10-tetrahydro-5,9-methanocycloocta[b]pyridin-2-ol
5,9-methanocycloocta[b]pyridin-2-ol, 5-amino-11-ethylidene-5,6,9,10-tetrahydro-7,10,10-trimethyl-, (5R,11E)- [ACD/Index Name]
(R)-1-Amino-13-eth-(E)-ylidene-8,8,11-trimethyl-6-aza-tricyclo[7.3.1.0*2,7*]trideca-2(7),3,10-trien-5-one
(R)-1-Amino-13-ethylidene-8,8,11-trimethyl-6-aza-tricyclo[7.3.1.0*2,7*]trideca-2(7),3,10-trien-5-one
CHEMBL79874

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

Density: 1.2±0.1 g/cm3
Boiling Point: 437.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.1±3.0 kJ/mol
Flash Point: 218.5±28.7 °C
Index of Refraction: 1.635
Molar Refractivity: 82.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.97
ACD/LogD (pH 5.5): 0.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.00
ACD/LogD (pH 7.4): 2.14
ACD/BCF (pH 7.4): 20.56
ACD/KOC (pH 7.4): 243.03
Polar Surface Area: 59 Å2
Polarizability: 32.8±0.5 10-24cm3
Surface Tension: 52.4±3.0 dyne/cm
Molar Volume: 231.4±3.0 cm3

Click to predict properties on the Chemicalize site






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