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87723-15-7 | 1,4-Butanediaminium, N,N'-didecyl-N,N,N',N'-tetramethyl-, dibromide
CAS No: 87723-15-7 Catalog No: AG004JC6 MDL No:
Product Description
Catalog Number:
AG004JC6
Chemical Name:
1,4-Butanediaminium, N,N'-didecyl-N,N,N',N'-tetramethyl-, dibromide
CAS Number:
87723-15-7
Molecular Formula:
C28H62Br2N2
Molecular Weight:
586.6133
IUPAC Name:
decyl-[4-[decyl(dimethyl)azaniumyl]butyl]-dimethylazanium;dibromide
InChI:
InChI=1S/C28H62N2.2BrH/c1-7-9-11-13-15-17-19-21-25-29(3,4)27-23-24-28-30(5,6)26-22-20-18-16-14-12-10-8-2;;/h7-28H2,1-6H3;2*1H/q+2;;/p-2
InChI Key:
HKAKXBFSZZJPGZ-UHFFFAOYSA-L
SMILES:
CCCCCCCCCC[N+](CCCC[N+](CCCCCCCCCC)(C)C)(C)C.[Br-].[Br-]
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
586.326g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
586.626g/mol
Monoisotopic Mass:
584.328g/mol
Rotatable Bond Count:
23
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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