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Home > Imidazoles > 657394-63-3
657394-63-3 | 1H-Imidazolium, 1-butyl-3-ethenyl-, chloride
CAS No: 657394-63-3 Catalog No: AG006P3F MDL No:
Product Description
Catalog Number:
AG006P3F
Chemical Name:
1H-Imidazolium, 1-butyl-3-ethenyl-, chloride
CAS Number:
657394-63-3
Molecular Formula:
C9H17ClN2
Molecular Weight:
188.6977
IUPAC Name:
1-butyl-3-ethenyl-1,2-dihydroimidazol-1-ium;chloride
InChI:
InChI=1S/C9H16N2.ClH/c1-3-5-6-11-8-7-10(4-2)9-11;/h4,7-8H,2-3,5-6,9H2,1H3;1H
InChI Key:
FBOSFHSGNSJLLG-UHFFFAOYSA-N
SMILES:
CCCC[NH+]1CN(C=C1)C=C.[Cl-]
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.108g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.699g/mol
Monoisotopic Mass:
188.108g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
7.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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