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18262-86-7 | 1-Octadecanaminium, N-methyl-N,N-dioctadecyl-, bromide (1:1)
CAS No: 18262-86-7 Catalog No: AG00240C MDL No:
Product Description
Catalog Number:
AG00240C
Chemical Name:
1-Octadecanaminium, N-methyl-N,N-dioctadecyl-, bromide (1:1)
CAS Number:
18262-86-7
Molecular Formula:
C55H114BrN
Molecular Weight:
869.4044
IUPAC Name:
methyl(trioctadecyl)azanium;bromide
InChI:
InChI=1S/C55H114N.BrH/c1-5-8-11-14-17-20-23-26-29-32-35-38-41-44-47-50-53-56(4,54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-2)55-52-49-46-43-40-37-34-31-28-25-22-19-16-13-10-7-3;/h5-55H2,1-4H3;1H/q+1;/p-1
InChI Key:
OPEJZUZBJHDLPL-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCCCCCCCC[N+](CCCCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCCCC)C.[Br-]
Properties
Complexity:
582
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
867.813g/mol
Formal Charge:
0
Heavy Atom Count:
57
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
869.428g/mol
Monoisotopic Mass:
867.813g/mol
Rotatable Bond Count:
51
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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