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Home > Other Heterocycles > 27649-18-9
27649-18-9 | 8-Azabicyclo[3.2.1]octane, 3-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-8-methyl-, methanesulfonate (1:1)
CAS No: 27649-18-9 Catalog No: AG002UBJ MDL No:
Product Description
Catalog Number:
AG002UBJ
Chemical Name:
8-Azabicyclo[3.2.1]octane, 3-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-8-methyl-, methanesulfonate (1:1)
CAS Number:
27649-18-9
Molecular Formula:
C24H29NO3S
Molecular Weight:
411.5570
IUPAC Name:
methanesulfonic acid;8-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)-8-azabicyclo[3.2.1]octane
InChI:
InChI=1S/C23H25N.CH4O3S/c1-24-19-12-13-20(24)15-18(14-19)23-21-8-4-2-6-16(21)10-11-17-7-3-5-9-22(17)23;1-5(2,3)4/h2-9,19-20H,10-15H2,1H3;1H3,(H,2,3,4)
InChI Key:
IGCMXWROEHRWIE-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)O.CN1C2CCC1CC(=C1c3ccccc3CCc3c1cccc3)C2
Properties
Complexity:
557
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
411.187g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
411.56g/mol
Monoisotopic Mass:
411.187g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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