Dibenzo[a,e]cyclooc...

Dibenzo[a,e]cyclooctene-5,11-imine,5,6,11,12-tetrahydro-2,3,8,9-tetramethoxy-13-methyl-(CAS No. 5531-95-3)

Dibenzo[a,e]cyclooctene-5,11-imine,5,6,11,12-tetrahydro-2,3,8,9-tetramethoxy-13-methyl-(CAS No. 5531-95-3)

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Dibenzo[a,e]cyclooctene-5,11-imine,5,6,11,12-tetrahydro-2,3,8,9-tetramethoxy-13-methyl- 5531-95-3 98%

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Details:

【Name】
Dibenzo[a,e]cyclooctene-5,11-imine,5,6,11,12-tetrahydro-2,3,8,9-tetramethoxy-13-methyl-
【CAS Registry number】
5531-95-3
【Synonyms】
Cycloocta[1,2,5,6]dibenzen-5,11-imine,5,6,11,12-tetrahydro-2,3,8,9-tetramethoxy-13-methyl- (5CI)
Dibenzo[a,e]cycloocten-5,11-imine,5,6,11,12-tetrahydro-2,3,8,9-tetramethoxy-13-methyl- (9CI)
(à)-Argemonine
(à)-N-Methylpavine
NSC 148821
【Molecular Formula】
C21H25 N O4 (Products with the same molecular formula)
【Molecular Weight】
355.4275
【Inchi】
InChI=1S/C21H25NO4/c1-22-16-6-12-8-18(23-2)20(25-4)10-14(12)17(22)7-13-9-19(24-3)21(26-5)11-15(13)16/h8-11,16-17H,6-7H2,1-5H3
【Canonical SMILES】
CN1C2CC3=CC(=C(C=C3C1CC4=CC(=C(C=C24)OC)OC)OC)OC
Chemical and Physical Properties
【Computed Properties】
Molecular Weight:355.4275 [g/mol]
Molecular Formula:C21H25NO4
XLogP3-AA:3.3
H-Bond Donor:0
H-Bond Acceptor:5
Rotatable Bond Count:4
Exact Mass:355.178358
MonoIsotopic Mass:355.178358
Topological Polar Surface Area:40.2
Heavy Atom Count:26
Formal Charge:0
Complexity:447
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:2
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:4
Feature 3D Cation Count:1
Feature 3D Ring Count:4
Effective Rotor Count:4.6
Conformer Sampling RMSD:0.8
CID Conformer Count:6

 

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