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Home > Imidazoles > 796738-88-0
796738-88-0 | 1H-Imidazolium, 1-butyl-3-[(4-ethenylphenyl)methyl]-, chloride
CAS No: 796738-88-0 Catalog No: AG0057BK MDL No:
Product Description
Catalog Number:
AG0057BK
Chemical Name:
1H-Imidazolium, 1-butyl-3-[(4-ethenylphenyl)methyl]-, chloride
CAS Number:
796738-88-0
Molecular Formula:
C16H23ClN2
Molecular Weight:
278.8202
IUPAC Name:
1-butyl-3-[(4-ethenylphenyl)methyl]-1,2-dihydroimidazol-1-ium;chloride
InChI:
InChI=1S/C16H22N2.ClH/c1-3-5-10-17-11-12-18(14-17)13-16-8-6-15(4-2)7-9-16;/h4,6-9,11-12H,2-3,5,10,13-14H2,1H3;1H
InChI Key:
JHEPTULJIBDAMX-UHFFFAOYSA-N
SMILES:
CCCC[NH+]1C=CN(C1)Cc1ccc(cc1)C=C.[Cl-]
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.155g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.824g/mol
Monoisotopic Mass:
278.155g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
7.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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