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Home > Imidazoles > 1231928-52-1
1231928-52-1 | 1-(diethylcarbamoyl)-3-methyl-1H-imidazol-3-ium iodide
CAS No: 1231928-52-1 Catalog No: AG019QRQ MDL No:MFCD11099761
Product Description
Catalog Number:
AG019QRQ
Chemical Name:
1-(diethylcarbamoyl)-3-methyl-1H-imidazol-3-ium iodide
CAS Number:
1231928-52-1
Molecular Formula:
C9H16IN3O
Molecular Weight:
309.1473
MDL Number:
MFCD11099761
IUPAC Name:
N,N-diethyl-3-methylimidazol-3-ium-1-carboxamide;iodide
InChI:
InChI=1S/C9H16N3O.HI/c1-4-11(5-2)9(13)12-7-6-10(3)8-12;/h6-8H,4-5H2,1-3H3;1H/q+1;/p-1
InChI Key:
DCTBFMWKZPARQM-UHFFFAOYSA-M
SMILES:
CCN(C(=O)n1cc[n+](c1)C)CC.[I-]
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.034g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.151g/mol
Monoisotopic Mass:
309.034g/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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