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Home > Imidazoles > 65383-34-8
65383-34-8 | 1H-Imidazole, 4,5-dimethyl-1-(2-phenylethyl)-, 3-oxide
CAS No: 65383-34-8 Catalog No: AG006RQP MDL No:
Product Description
Catalog Number:
AG006RQP
Chemical Name:
1H-Imidazole, 4,5-dimethyl-1-(2-phenylethyl)-, 3-oxide
CAS Number:
65383-34-8
Molecular Formula:
C13H16N2O
Molecular Weight:
216.2789
IUPAC Name:
4,5-dimethyl-1-oxido-3-(2-phenylethyl)imidazol-1-ium
InChI:
InChI=1S/C13H16N2O/c1-11-12(2)15(16)10-14(11)9-8-13-6-4-3-5-7-13/h3-7,10H,8-9H2,1-2H3
InChI Key:
DNCCHZOKBJGUIO-UHFFFAOYSA-N
SMILES:
[O-][n+]1cn(c(c1C)C)CCc1ccccc1
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.284g/mol
Monoisotopic Mass:
216.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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