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Home > Imidazoles > 1231955-75-1
1231955-75-1 | 1-[butyl(ethyl)carbamoyl]-3-methyl-1H-imidazol-3-ium iodide
CAS No: 1231955-75-1 Catalog No: AG019QRP MDL No:MFCD11099760
Product Description
Catalog Number:
AG019QRP
Chemical Name:
1-[butyl(ethyl)carbamoyl]-3-methyl-1H-imidazol-3-ium iodide
CAS Number:
1231955-75-1
Molecular Formula:
C11H20IN3O
Molecular Weight:
337.2005
MDL Number:
MFCD11099760
IUPAC Name:
N-butyl-N-ethyl-3-methylimidazol-3-ium-1-carboxamide;iodide
InChI:
InChI=1S/C11H20N3O.HI/c1-4-6-7-13(5-2)11(15)14-9-8-12(3)10-14;/h8-10H,4-7H2,1-3H3;1H/q+1;/p-1
InChI Key:
KJVMAEWZMIBUII-UHFFFAOYSA-M
SMILES:
CCCCN(C(=O)n1cc[n+](c1)C)CC.[I-]
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.065g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
337.205g/mol
Monoisotopic Mass:
337.065g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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