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128480-87-5 | 4,4'-Bipyridinium, 1-[3-(dihexadecylamino)-3-oxopropyl]-1'-ethyl-
CAS No: 128480-87-5 Catalog No: AG000Y4T MDL No:
Product Description
Catalog Number:
AG000Y4T
Chemical Name:
4,4'-Bipyridinium, 1-[3-(dihexadecylamino)-3-oxopropyl]-1'-ethyl-
CAS Number:
128480-87-5
Molecular Formula:
C47H83N3O++
Molecular Weight:
706.1814
IUPAC Name:
3-[4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]-N,N-dihexadecylpropanamide
InChI:
InChI=1S/C47H83N3O/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-38-50(39-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2)47(51)37-44-49-42-35-46(36-43-49)45-33-40-48(6-3)41-34-45/h33-36,40-43H,4-32,37-39,44H2,1-3H3/q+2
InChI Key:
UZQCTOBHYJPQIO-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCN(C(=O)CC[n+]1ccc(cc1)c1cc[n+](cc1)CC)CCCCCCCCCCCCCCCC
Properties
Complexity:
710
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
705.654g/mol
Formal Charge:
2
Heavy Atom Count:
51
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
706.201g/mol
Monoisotopic Mass:
705.654g/mol
Rotatable Bond Count:
35
Topological Polar Surface Area:
28.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
16.8
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