200,000+ products from a single source!
sales@angenechem.com
116341-03-8 | 4,4'-Bipyridinium, 1-dodecyl-1'-[6-(1-pyrenyl)hexyl]-, bromide (1:2)
CAS No: 116341-03-8 Catalog No: AG000C8U MDL No:
Product Description
Catalog Number:
AG000C8U
Chemical Name:
4,4'-Bipyridinium, 1-dodecyl-1'-[6-(1-pyrenyl)hexyl]-, bromide (1:2)
CAS Number:
116341-03-8
Molecular Formula:
C44H54Br2N2
Molecular Weight:
770.7210
IUPAC Name:
1-dodecyl-4-[1-(6-pyren-1-ylhexyl)pyridin-1-ium-4-yl]pyridin-1-ium;dibromide
InChI:
InChI=1S/C44H54N2.2BrH/c1-2-3-4-5-6-7-8-9-11-14-30-45-32-26-36(27-33-45)37-28-34-46(35-29-37)31-15-12-10-13-17-38-20-21-41-23-22-39-18-16-19-40-24-25-42(38)44(41)43(39)40;;/h16,18-29,32-35H,2-15,17,30-31H2,1H3;2*1H/q+2;;/p-2
InChI Key:
PINWBRMPQXVZPP-UHFFFAOYSA-L
SMILES:
CCCCCCCCCCCC[n+]1ccc(cc1)c1cc[n+](cc1)CCCCCCc1ccc2c3c1ccc1c3c(cc2)ccc1.[Br-].[Br-]
Properties
Complexity:
809
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
770.263g/mol
Formal Charge:
0
Heavy Atom Count:
48
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
770.738g/mol
Monoisotopic Mass:
768.265g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
7.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.