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Home > Imidazoles > 178631-03-3
178631-03-3 | 1H-Imidazolium, 1-methyl-3-octyl-
CAS No: 178631-03-3 Catalog No: AG00267E MDL No:
Product Description
Catalog Number:
AG00267E
Chemical Name:
1H-Imidazolium, 1-methyl-3-octyl-
CAS Number:
178631-03-3
Molecular Formula:
C12H25N2+
Molecular Weight:
197.3403
IUPAC Name:
1-methyl-3-octyl-1,2-dihydroimidazol-1-ium
InChI:
InChI=1S/C12H24N2/c1-3-4-5-6-7-8-9-14-11-10-13(2)12-14/h10-11H,3-9,12H2,1-2H3/p+1
InChI Key:
KTUWFYALZIAAGE-UHFFFAOYSA-O
SMILES:
CCCCCCCCN1C=C[NH+](C1)C
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.202g/mol
Formal Charge:
1
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.346g/mol
Monoisotopic Mass:
197.202g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
7.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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