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124515-61-3 | 1-Octadecanaminium, N-butyl-N,N-dimethyl-, bromide (1:1)
CAS No: 124515-61-3 Catalog No: AG000M5U MDL No:
Product Description
Catalog Number:
AG000M5U
Chemical Name:
1-Octadecanaminium, N-butyl-N,N-dimethyl-, bromide (1:1)
CAS Number:
124515-61-3
Molecular Formula:
C24H52BrN
Molecular Weight:
434.5804
IUPAC Name:
butyl-dimethyl-octadecylazanium;bromide
InChI:
InChI=1S/C24H52N.BrH/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-25(3,4)23-8-6-2;/h5-24H2,1-4H3;1H/q+1;/p-1
InChI Key:
PWKMYXNDHDGPNE-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCCCCCCCC[N+](CCCC)(C)C.[Br-]
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
433.328g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
434.591g/mol
Monoisotopic Mass:
433.328g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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