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Home > Imidazoles > 1452-34-2
1452-34-2 | 3-benzyl-2-heptadecyl-1-(2-hydroxyethyl)-4,5-dihydro-1h-imidazol-3-ium chloride
CAS No: 1452-34-2 Catalog No: AG007YVT MDL No:
Product Description
Catalog Number:
AG007YVT
Chemical Name:
3-benzyl-2-heptadecyl-1-(2-hydroxyethyl)-4,5-dihydro-1h-imidazol-3-ium chloride
CAS Number:
1452-34-2
Molecular Formula:
C29H51ClN2O
Molecular Weight:
479.1810
IUPAC Name:
2-(3-benzyl-2-heptadecyl-4,5-dihydroimidazol-3-ium-1-yl)ethanol;chloride
InChI:
InChI=1S/C29H51N2O.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-29-30(25-26-32)23-24-31(29)27-28-20-17-16-18-21-28;/h16-18,20-21,32H,2-15,19,22-27H2,1H3;1H/q+1;/p-1
InChI Key:
CLQYEXVGDIHPFZ-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCCCCCCCC1=[N+](CCN1CCO)Cc1ccccc1.[Cl-]
EC Number:
238-321-5
Properties
Complexity:
470
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:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
479.19g/mol
Monoisotopic Mass:
478.369g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
26.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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