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155085-26-0 | 1H-Imidazolium, 3-ethenyl-1-hexadecyl-, bromide (1:1)
CAS No: 155085-26-0 Catalog No: AG001NL9 MDL No:
Product Description
Catalog Number:
AG001NL9
Chemical Name:
1H-Imidazolium, 3-ethenyl-1-hexadecyl-, bromide (1:1)
CAS Number:
155085-26-0
Molecular Formula:
C21H41BrN2
Molecular Weight:
401.4676
IUPAC Name:
1-ethenyl-3-hexadecyl-1,2-dihydroimidazol-1-ium;bromide
InChI:
InChI=1S/C21H40N2.BrH/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-20-19-22(4-2)21-23;/h4,19-20H,2-3,5-18,21H2,1H3;1H
InChI Key:
RLBBGENOQSCOHE-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCC[NH+]1C=CN(C1)C=C.[Br-]
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
400.245g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
401.477g/mol
Monoisotopic Mass:
400.245g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
7.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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