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Home > Imidazoles > 743418-19-1
743418-19-1 | 1H-Imidazolium, 1-methyl-3-[(4-methylphenyl)methyl]-
CAS No: 743418-19-1 Catalog No: AG008QG2 MDL No:
Product Description
Catalog Number:
AG008QG2
Chemical Name:
1H-Imidazolium, 1-methyl-3-[(4-methylphenyl)methyl]-
CAS Number:
743418-19-1
Molecular Formula:
C12H17N2+
Molecular Weight:
189.2768
IUPAC Name:
1-methyl-3-[(4-methylphenyl)methyl]-1,2-dihydroimidazol-1-ium
InChI:
InChI=1S/C12H16N2/c1-11-3-5-12(6-4-11)9-14-8-7-13(2)10-14/h3-8H,9-10H2,1-2H3/p+1
InChI Key:
BVHOAOUJVPJDAZ-UHFFFAOYSA-O
SMILES:
C[NH+]1C=CN(C1)Cc1ccc(cc1)C
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.139g/mol
Formal Charge:
1
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.282g/mol
Monoisotopic Mass:
189.139g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
7.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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