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Home > Other Heterocycles > 143797-25-5
143797-25-5 | 1,4-Diazoniabicyclo[2.2.2]octane, 1,4-bis(phenylmethyl)-
CAS No: 143797-25-5 Catalog No: AG001ID5 MDL No:
Product Description
Catalog Number:
AG001ID5
Chemical Name:
1,4-Diazoniabicyclo[2.2.2]octane, 1,4-bis(phenylmethyl)-
CAS Number:
143797-25-5
Molecular Formula:
C20H26N2++
Molecular Weight:
294.4338
IUPAC Name:
1,4-dibenzyl-1,4-diazoniabicyclo[2.2.2]octane
InChI:
InChI=1S/C20H26N2/c1-3-7-19(8-4-1)17-21-11-14-22(15-12-21,16-13-21)18-20-9-5-2-6-10-20/h1-10H,11-18H2/q+2
InChI Key:
QDBSMKFBIMHREN-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C[N+]12CC[N+](CC1)(CC2)Cc1ccccc1
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.21g/mol
Formal Charge:
2
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.442g/mol
Monoisotopic Mass:
294.21g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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