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1231958-35-2 | 3-methyl-1-(2-methylmorpholine-4-carbonyl)-1H-imidazol-3-ium iodide
CAS No: 1231958-35-2 Catalog No: AG019QRF MDL No:MFCD11099749
Product Description
Catalog Number:
AG019QRF
Chemical Name:
3-methyl-1-(2-methylmorpholine-4-carbonyl)-1H-imidazol-3-ium iodide
CAS Number:
1231958-35-2
Molecular Formula:
C10H16IN3O2
Molecular Weight:
337.1574
MDL Number:
MFCD11099749
IUPAC Name:
(3-methylimidazol-3-ium-1-yl)-(2-methylmorpholin-4-yl)methanone;iodide
InChI:
InChI=1S/C10H16N3O2.HI/c1-9-7-12(5-6-15-9)10(14)13-4-3-11(2)8-13;/h3-4,8-9H,5-7H2,1-2H3;1H/q+1;/p-1
InChI Key:
FINFZSFASGZRCZ-UHFFFAOYSA-M
SMILES:
CC1OCCN(C1)C(=O)n1cc[n+](c1)C.[I-]
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.029g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
337.161g/mol
Monoisotopic Mass:
337.029g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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