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Home > Imidazoles > 799246-96-1
799246-96-1 | 1H-Imidazolium, 1-methyl-3-octadecyl-, nitrate
CAS No: 799246-96-1 Catalog No: AG005F6Q MDL No:
Product Description
Catalog Number:
AG005F6Q
Chemical Name:
1H-Imidazolium, 1-methyl-3-octadecyl-, nitrate
CAS Number:
799246-96-1
Molecular Formula:
C22H45N3O3
Molecular Weight:
399.6110
IUPAC Name:
1-methyl-3-octadecyl-1,2-dihydroimidazol-1-ium;nitrate
InChI:
InChI=1S/C22H44N2.NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-21-20-23(2)22-24;2-1(3)4/h20-21H,3-19,22H2,1-2H3;/q;-1/p+1
InChI Key:
ZICWFYMFTSDUMY-UHFFFAOYSA-O
SMILES:
[O-][N+](=O)[O-].CCCCCCCCCCCCCCCCCCN1C=C[NH+](C1)C
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
399.346g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
399.62g/mol
Monoisotopic Mass:
399.346g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
70.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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