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15590-94-0 | 1,6-Hexanediaminium, N1,N1,N6,N6-tetramethyl-N1,N6-dioctyl-, bromide (1:2)
CAS No: 15590-94-0 Catalog No: AG001OCG MDL No:
Product Description
Catalog Number:
AG001OCG
Chemical Name:
1,6-Hexanediaminium, N1,N1,N6,N6-tetramethyl-N1,N6-dioctyl-, bromide (1:2)
CAS Number:
15590-94-0
Molecular Formula:
C26H58Br2N2
Molecular Weight:
558.5601
IUPAC Name:
6-[dimethyl(octyl)azaniumyl]hexyl-dimethyl-octylazanium;dibromide
InChI:
InChI=1S/C26H58N2.2BrH/c1-7-9-11-13-15-19-23-27(3,4)25-21-17-18-22-26-28(5,6)24-20-16-14-12-10-8-2;;/h7-26H2,1-6H3;2*1H/q+2;;/p-2
InChI Key:
QCRBRNLZCSIHJK-UHFFFAOYSA-L
SMILES:
CCCCCCCC[N+](CCCCCC[N+](CCCCCCCC)(C)C)(C)C.[Br-].[Br-]
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
558.295g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
558.572g/mol
Monoisotopic Mass:
556.297g/mol
Rotatable Bond Count:
21
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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