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Home > Imidazoles > 1231928-63-4
1231928-63-4 | 1-(azocane-1-carbonyl)-3-methyl-1H-imidazol-3-ium iodide
CAS No: 1231928-63-4 Catalog No: AG019QRC MDL No:MFCD11099747
Product Description
Catalog Number:
AG019QRC
Chemical Name:
1-(azocane-1-carbonyl)-3-methyl-1H-imidazol-3-ium iodide
CAS Number:
1231928-63-4
Molecular Formula:
C12H20IN3O
Molecular Weight:
349.2112
MDL Number:
MFCD11099747
IUPAC Name:
azocan-1-yl-(3-methylimidazol-3-ium-1-yl)methanone;iodide
InChI:
InChI=1S/C12H20N3O.HI/c1-13-9-10-15(11-13)12(16)14-7-5-3-2-4-6-8-14;/h9-11H,2-8H2,1H3;1H/q+1;/p-1
InChI Key:
VHGFXWARHUXDHT-UHFFFAOYSA-M
SMILES:
C[n+]1ccn(c1)C(=O)N1CCCCCCC1.[I-]
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.065g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
349.216g/mol
Monoisotopic Mass:
349.065g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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