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88054-86-8 | Benzenemethanaminium, N,N,N-trioctyl-, bromide
CAS No: 88054-86-8 Catalog No: AG004IHV MDL No:
Product Description
Catalog Number:
AG004IHV
Chemical Name:
Benzenemethanaminium, N,N,N-trioctyl-, bromide
CAS Number:
88054-86-8
Molecular Formula:
C31H58BrN
Molecular Weight:
524.7029
IUPAC Name:
benzyl(trioctyl)azanium;bromide
InChI:
InChI=1S/C31H58N.BrH/c1-4-7-10-13-16-22-27-32(28-23-17-14-11-8-5-2,29-24-18-15-12-9-6-3)30-31-25-20-19-21-26-31;/h19-21,25-26H,4-18,22-24,27-30H2,1-3H3;1H/q+1;/p-1
InChI Key:
FXSKDNJWXMDRDI-UHFFFAOYSA-M
SMILES:
CCCCCCCC[N+](Cc1ccccc1)(CCCCCCCC)CCCCCCCC.[Br-]
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
523.375g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
524.716g/mol
Monoisotopic Mass:
523.375g/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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