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Home > Other Heterocycles > 27574-18-1
27574-18-1 | 8-Azabicyclo[3.2.1]octane, 3-(5H-dibenzo[a,d]cyclohepten-5-ylidene)-8-methyl-, hydrochloride (1:1)
CAS No: 27574-18-1 Catalog No: AG002U3E MDL No:
Product Description
Catalog Number:
AG002U3E
Chemical Name:
8-Azabicyclo[3.2.1]octane, 3-(5H-dibenzo[a,d]cyclohepten-5-ylidene)-8-methyl-, hydrochloride (1:1)
CAS Number:
27574-18-1
Molecular Formula:
C23H24ClN
Molecular Weight:
349.8964
IUPAC Name:
8-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)-8-azabicyclo[3.2.1]octane;hydrochloride
InChI:
InChI=1S/C23H23N.ClH/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;/h2-11,19-20H,12-15H2,1H3;1H
InChI Key:
VZDZRARSQDMIMF-UHFFFAOYSA-N
SMILES:
CN1C2CCC1CC(=C1c3ccccc3C=Cc3c1cccc3)C2.Cl
Properties
Complexity:
500
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.16g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
349.902g/mol
Monoisotopic Mass:
349.16g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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