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Home > Imidazoles > 84625-60-5
84625-60-5 | 1-BENZYL-4,5-DIHYDRO-1-(2-HYDROXYETHYL)-2-(15-METHYLHEXADECYL)-1H-IMIDAZOLIUM CHLORIDE
CAS No: 84625-60-5 Catalog No: AG008H56 MDL No:
Product Description
Catalog Number:
AG008H56
Chemical Name:
1-BENZYL-4,5-DIHYDRO-1-(2-HYDROXYETHYL)-2-(15-METHYLHEXADECYL)-1H-IMIDAZOLIUM CHLORIDE
CAS Number:
84625-60-5
Molecular Formula:
C29H51ClN2O
Molecular Weight:
479.1810
IUPAC Name:
2-[1-benzyl-2-(15-methylhexadecyl)-4,5-dihydroimidazol-1-ium-1-yl]ethanol;chloride
InChI:
InChI=1S/C29H51N2O.ClH/c1-27(2)18-14-11-9-7-5-3-4-6-8-10-12-17-21-29-30-22-23-31(29,24-25-32)26-28-19-15-13-16-20-28;/h13,15-16,19-20,27,32H,3-12,14,17-18,21-26H2,1-2H3;1H/q+1;/p-1
InChI Key:
IZHSCDOXRKNGBC-UHFFFAOYSA-M
SMILES:
OCC[N+]1(CCN=C1CCCCCCCCCCCCCCC(C)C)Cc1ccccc1.[Cl-]
EC Number:
283-429-8
Properties
Complexity:
484
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
478.369g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
479.19g/mol
Monoisotopic Mass:
478.369g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
32.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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