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Home > Imidazoles > 799246-95-0
799246-95-0 | 1H-Imidazolium, 1-hexadecyl-3-methyl-, nitrate
CAS No: 799246-95-0 Catalog No: AG0054WH MDL No:
Product Description
Catalog Number:
AG0054WH
Chemical Name:
1H-Imidazolium, 1-hexadecyl-3-methyl-, nitrate
CAS Number:
799246-95-0
Molecular Formula:
C20H41N3O3
Molecular Weight:
371.5578
IUPAC Name:
1-hexadecyl-3-methyl-1,2-dihydroimidazol-1-ium;nitrate
InChI:
InChI=1S/C20H40N2.NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-19-18-21(2)20-22;2-1(3)4/h18-19H,3-17,20H2,1-2H3;/q;-1/p+1
InChI Key:
XGGDBJWDVICTAM-UHFFFAOYSA-O
SMILES:
[O-][N+](=O)[O-].CCCCCCCCCCCCCCCC[NH+]1C=CN(C1)C
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.315g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
371.566g/mol
Monoisotopic Mass:
371.315g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
70.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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