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88458-77-9 | AMMONIUM, (p-PHENYLENEDIMETHYLENE)BIS(DODECYLDIETHYL-, DIBROMIDE
CAS No: 88458-77-9 Catalog No: AG004DL0 MDL No:
Product Description
Catalog Number:
AG004DL0
Chemical Name:
AMMONIUM, (p-PHENYLENEDIMETHYLENE)BIS(DODECYLDIETHYL-, DIBROMIDE
CAS Number:
88458-77-9
Molecular Formula:
C40H78Br2N2
Molecular Weight:
746.8687
IUPAC Name:
dodecyl-[[4-[[dodecyl(diethyl)azaniumyl]methyl]phenyl]methyl]-diethylazanium;dibromide
InChI:
InChI=1S/C40H78N2.2BrH/c1-7-13-15-17-19-21-23-25-27-29-35-41(9-3,10-4)37-39-31-33-40(34-32-39)38-42(11-5,12-6)36-30-28-26-24-22-20-18-16-14-8-2;;/h31-34H,7-30,35-38H2,1-6H3;2*1H/q+2;;/p-2
InChI Key:
QDDBOPFJEVSXCQ-UHFFFAOYSA-L
SMILES:
CCCCCCCCCCCC[N+](Cc1ccc(cc1)C[N+](CCCCCCCCCCCC)(CC)CC)(CC)CC.[Br-].[Br-]
Properties
Complexity:
506
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
746.451g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
746.886g/mol
Monoisotopic Mass:
744.453g/mol
Rotatable Bond Count:
30
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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