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Home > Imidazoles > 100894-64-2
100894-64-2 | 1H-Imidazolium, 3-ethenyl-1-(2-propen-1-yl)-, chloride (1:1)
CAS No: 100894-64-2 Catalog No: AG00033Y MDL No:MFCD30722452
Product Description
Catalog Number:
AG00033Y
Chemical Name:
1H-Imidazolium, 3-ethenyl-1-(2-propen-1-yl)-, chloride (1:1)
CAS Number:
100894-64-2
Molecular Formula:
C8H13ClN2
Molecular Weight:
172.6552
MDL Number:
MFCD30722452
IUPAC Name:
1-ethenyl-3-prop-2-enylimidazol-3-ium;chloride
InChI:
InChI=1S/C8H11N2.ClH/c1-3-5-10-7-6-9(4-2)8-10;/h3-4,6-8H,1-2,5H2;1H/q+1;/p-1
InChI Key:
JPYCEKOMLYESGW-UHFFFAOYSA-M
SMILES:
C=CC[NH+]1C=CN(C1)C=C.[Cl-]
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.061g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.64g/mol
Monoisotopic Mass:
170.061g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
8.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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