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278603-09-1 | 1H-Imidazolium, 1-dodecyl-2-methyl-3-(phenylmethyl)-, iodide
CAS No: 278603-09-1 Catalog No: AG007JTS MDL No:
Product Description
Catalog Number:
AG007JTS
Chemical Name:
1H-Imidazolium, 1-dodecyl-2-methyl-3-(phenylmethyl)-, iodide
CAS Number:
278603-09-1
Molecular Formula:
C23H39IN2
Molecular Weight:
470.4736
IUPAC Name:
3-benzyl-1-dodecyl-2-methyl-1,2-dihydroimidazol-1-ium;iodide
InChI:
InChI=1S/C23H38N2.HI/c1-3-4-5-6-7-8-9-10-11-15-18-24-19-20-25(22(24)2)21-23-16-13-12-14-17-23;/h12-14,16-17,19-20,22H,3-11,15,18,21H2,1-2H3;1H
InChI Key:
SAWMLPBJUYDINZ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCC[NH+]1C=CN(C1C)Cc1ccccc1.[I-]
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
470.216g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
470.483g/mol
Monoisotopic Mass:
470.216g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
7.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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