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114669-75-9 | Methanediaminium, N,N,N',N'-tetramethyl-N,N'-dioctadecyl-, bromide (1:2)
CAS No: 114669-75-9 Catalog No: AG000F0D MDL No:
Product Description
Catalog Number:
AG000F0D
Chemical Name:
Methanediaminium, N,N,N',N'-tetramethyl-N,N'-dioctadecyl-, bromide (1:2)
CAS Number:
114669-75-9
Molecular Formula:
C41H88Br2N2
Molecular Weight:
768.9588
IUPAC Name:
[dimethyl(octadecyl)azaniumyl]methyl-dimethyl-octadecylazanium;dibromide
InChI:
InChI=1S/C41H88N2.2BrH/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-42(3,4)41-43(5,6)40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2;;/h7-41H2,1-6H3;2*1H/q+2;;/p-2
InChI Key:
UYUYBIONHNXHSZ-UHFFFAOYSA-L
SMILES:
CCCCCCCCCCCCCCCCCC[N+](C[N+](CCCCCCCCCCCCCCCCCC)(C)C)(C)C.[Br-].[Br-]
Properties
Complexity:
480
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
768.529g/mol
Formal Charge:
0
Heavy Atom Count:
45
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
768.977g/mol
Monoisotopic Mass:
766.531g/mol
Rotatable Bond Count:
36
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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