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Home > Other Heterocycles > 87433-33-8
87433-33-8 | 2,3-Diazabicyclo[2.2.2]oct-2-ene, 1,4-diphenyl-
CAS No: 87433-33-8 Catalog No: AG004MDL MDL No:
Product Description
Catalog Number:
AG004MDL
Chemical Name:
2,3-Diazabicyclo[2.2.2]oct-2-ene, 1,4-diphenyl-
CAS Number:
87433-33-8
Molecular Formula:
C18H18N2
Molecular Weight:
262.3489
IUPAC Name:
1,4-diphenyl-2,3-diazabicyclo[2.2.2]oct-2-ene
InChI:
InChI=1S/C18H18N2/c1-3-7-15(8-4-1)17-11-13-18(14-12-17,20-19-17)16-9-5-2-6-10-16/h1-10H,11-14H2
InChI Key:
OHTYVHWSSUUPHV-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C12CCC(CC1)(N=N2)c1ccccc1
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.147g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.356g/mol
Monoisotopic Mass:
262.147g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
24.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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