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Home > Imidazoles > 105612-59-7
105612-59-7 | 1H-Imidazolium, 1-methyl-3-(1-oxotetradecyl)-, chloride
CAS No: 105612-59-7 Catalog No: AG0084G2 MDL No:
Product Description
Catalog Number:
AG0084G2
Chemical Name:
1H-Imidazolium, 1-methyl-3-(1-oxotetradecyl)-, chloride
CAS Number:
105612-59-7
Molecular Formula:
C18H35ClN2O
Molecular Weight:
330.9363
IUPAC Name:
1-(1-methyl-1,2-dihydroimidazol-1-ium-3-yl)tetradecan-1-one;chloride
InChI:
InChI=1S/C18H34N2O.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-18(21)20-16-15-19(2)17-20;/h15-16H,3-14,17H2,1-2H3;1H
InChI Key:
MENVGXLHWOPKHU-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCC(=O)N1C=C[NH+](C1)C.[Cl-]
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.244g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
330.941g/mol
Monoisotopic Mass:
330.244g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
24.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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