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Home > Imidazoles > 799246-94-9
799246-94-9 | 1H-Imidazolium, 1-methyl-3-tetradecyl-, nitrate
CAS No: 799246-94-9 Catalog No: AG008KUW MDL No:
Product Description
Catalog Number:
AG008KUW
Chemical Name:
1H-Imidazolium, 1-methyl-3-tetradecyl-, nitrate
CAS Number:
799246-94-9
Molecular Formula:
C18H37N3O3
Molecular Weight:
343.5047
IUPAC Name:
1-methyl-3-tetradecyl-1,2-dihydroimidazol-1-ium;nitrate
InChI:
InChI=1S/C18H36N2.NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-17-16-19(2)18-20;2-1(3)4/h16-17H,3-15,18H2,1-2H3;/q;-1/p+1
InChI Key:
CPZXWCVFQOVHFW-UHFFFAOYSA-O
SMILES:
[O-][N+](=O)[O-].CCCCCCCCCCCCCCN1C=C[NH+](C1)C
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.283g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
343.512g/mol
Monoisotopic Mass:
343.283g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
70.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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