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Home > Imidazoles > 1034607-39-0
1034607-39-0 | 1-[butyl(methyl)carbamoyl]-3-methyl-1H-imidazol-3-ium iodide
CAS No: 1034607-39-0 Catalog No: AG019QRB MDL No:MFCD11099746
Product Description
Catalog Number:
AG019QRB
Chemical Name:
1-[butyl(methyl)carbamoyl]-3-methyl-1H-imidazol-3-ium iodide
CAS Number:
1034607-39-0
Molecular Formula:
C10H18IN3O
Molecular Weight:
323.1739
MDL Number:
MFCD11099746
IUPAC Name:
N-butyl-N,3-dimethylimidazol-3-ium-1-carboxamide;iodide
InChI:
InChI=1S/C10H18N3O.HI/c1-4-5-6-12(3)10(14)13-8-7-11(2)9-13;/h7-9H,4-6H2,1-3H3;1H/q+1;/p-1
InChI Key:
WHSSLWWNCHOEAP-UHFFFAOYSA-M
SMILES:
CCCCN(C(=O)n1cc[n+](c1)C)C.[I-]
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.049g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
323.178g/mol
Monoisotopic Mass:
323.049g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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