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380608-79-7 | 1-[benzyl(methyl)carbamoyl]-3-methyl-1H-imidazol-3-ium iodide
CAS No: 380608-79-7 Catalog No: AG019QRS MDL No:MFCD11099763
Product Description
Catalog Number:
AG019QRS
Chemical Name:
1-[benzyl(methyl)carbamoyl]-3-methyl-1H-imidazol-3-ium iodide
CAS Number:
380608-79-7
Molecular Formula:
C13H16IN3O
Molecular Weight:
357.1901
MDL Number:
MFCD11099763
IUPAC Name:
N-benzyl-N,3-dimethylimidazol-3-ium-1-carboxamide;iodide
InChI:
InChI=1S/C13H16N3O.HI/c1-14-8-9-16(11-14)13(17)15(2)10-12-6-4-3-5-7-12;/h3-9,11H,10H2,1-2H3;1H/q+1;/p-1
InChI Key:
RUQFSBQDGQNXPR-UHFFFAOYSA-M
SMILES:
C[n+]1ccn(c1)C(=O)N(Cc1ccccc1)C.[I-]
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.034g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
357.195g/mol
Monoisotopic Mass:
357.034g/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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