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548763-32-2 | 3-methyl-1-[methyl(propan-2-yl)carbamoyl]-1H-imidazol-3-ium iodide
CAS No: 548763-32-2 Catalog No: AG019QRK MDL No:MFCD11099755
Product Description
Catalog Number:
AG019QRK
Chemical Name:
3-methyl-1-[methyl(propan-2-yl)carbamoyl]-1H-imidazol-3-ium iodide
CAS Number:
548763-32-2
Molecular Formula:
C9H16IN3O
Molecular Weight:
309.1473
MDL Number:
MFCD11099755
IUPAC Name:
N,3-dimethyl-N-propan-2-ylimidazol-3-ium-1-carboxamide;iodide
InChI:
InChI=1S/C9H16N3O.HI/c1-8(2)11(4)9(13)12-6-5-10(3)7-12;/h5-8H,1-4H3;1H/q+1;/p-1
InChI Key:
ZJXUOHCOTPZEIL-UHFFFAOYSA-M
SMILES:
C[n+]1ccn(c1)C(=O)N(C(C)C)C.[I-]
Properties
Complexity:
193
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:
1
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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