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1231958-21-6 | 1-(dibutylcarbamoyl)-3-methyl-1H-imidazol-3-ium iodide
CAS No: 1231958-21-6 Catalog No: AG019QRD MDL No:MFCD11099748
Product Description
Catalog Number:
AG019QRD
Chemical Name:
1-(dibutylcarbamoyl)-3-methyl-1H-imidazol-3-ium iodide
CAS Number:
1231958-21-6
Molecular Formula:
C13H24IN3O
Molecular Weight:
365.2536
MDL Number:
MFCD11099748
IUPAC Name:
N,N-dibutyl-3-methylimidazol-3-ium-1-carboxamide;iodide
InChI:
InChI=1S/C13H24N3O.HI/c1-4-6-8-15(9-7-5-2)13(17)16-11-10-14(3)12-16;/h10-12H,4-9H2,1-3H3;1H/q+1;/p-1
InChI Key:
VNOUUSKYLNBOOM-UHFFFAOYSA-M
SMILES:
CCCCN(C(=O)n1cc[n+](c1)C)CCCC.[I-]
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.096g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
365.259g/mol
Monoisotopic Mass:
365.096g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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