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Home > Imidazoles > 1232168-71-6
1232168-71-6 | 3-methyl-1-{methyl[(4-methylphenyl)methyl]carbamoyl}-1H-imidazol-3-ium iodide
CAS No: 1232168-71-6 Catalog No: AG019QRI MDL No:MFCD11099752
Product Description
Catalog Number:
AG019QRI
Chemical Name:
3-methyl-1-{methyl[(4-methylphenyl)methyl]carbamoyl}-1H-imidazol-3-ium iodide
CAS Number:
1232168-71-6
Molecular Formula:
C14H18IN3O
Molecular Weight:
371.2167
MDL Number:
MFCD11099752
IUPAC Name:
N,3-dimethyl-N-[(4-methylphenyl)methyl]imidazol-3-ium-1-carboxamide;iodide
InChI:
InChI=1S/C14H18N3O.HI/c1-12-4-6-13(7-5-12)10-16(3)14(18)17-9-8-15(2)11-17;/h4-9,11H,10H2,1-3H3;1H/q+1;/p-1
InChI Key:
DYESIZCEQKIURF-UHFFFAOYSA-M
SMILES:
Cc1ccc(cc1)CN(C(=O)n1cc[n+](c1)C)C.[I-]
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.049g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
371.222g/mol
Monoisotopic Mass:
371.049g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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