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Home > Imidazoles > 799246-93-8
799246-93-8 | 1H-Imidazolium, 1-dodecyl-3-methyl-, nitrate
CAS No: 799246-93-8 Catalog No: AG0054WI MDL No:
Product Description
Catalog Number:
AG0054WI
Chemical Name:
1H-Imidazolium, 1-dodecyl-3-methyl-, nitrate
CAS Number:
799246-93-8
Molecular Formula:
C16H33N3O3
Molecular Weight:
315.4515
IUPAC Name:
1-dodecyl-3-methyl-1,2-dihydroimidazol-1-ium;nitrate
InChI:
InChI=1S/C16H32N2.NO3/c1-3-4-5-6-7-8-9-10-11-12-13-18-15-14-17(2)16-18;2-1(3)4/h14-15H,3-13,16H2,1-2H3;/q;-1/p+1
InChI Key:
RZRZJRFJFOUBBW-UHFFFAOYSA-O
SMILES:
[O-][N+](=O)[O-].CCCCCCCCCCCC[NH+]1C=CN(C1)C
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.252g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
315.458g/mol
Monoisotopic Mass:
315.252g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
70.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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