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Home > Imidazoles > 94108-66-4
94108-66-4 | 1-BENZYL-2-HENICOSYL-4,5-DIHYDRO-1-(2-HYDROXYETHYL)-1H-IMIDAZOLIUM CHLORIDE
CAS No: 94108-66-4 Catalog No: AG006RSC MDL No:
Product Description
Catalog Number:
AG006RSC
Chemical Name:
1-BENZYL-2-HENICOSYL-4,5-DIHYDRO-1-(2-HYDROXYETHYL)-1H-IMIDAZOLIUM CHLORIDE
CAS Number:
94108-66-4
Molecular Formula:
C33H59ClN2O
Molecular Weight:
535.2874
IUPAC Name:
2-(1-benzyl-2-henicosyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol;chloride
InChI:
InChI=1S/C33H59N2O.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-33-34-27-28-35(33,29-30-36)31-32-24-21-20-22-25-32;/h20-22,24-25,36H,2-19,23,26-31H2,1H3;1H/q+1;/p-1
InChI Key:
YVEGUVHIATZFPU-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCCCCCCCCCCCC1=NCC[N+]1(CCO)Cc1ccccc1.[Cl-]
EC Number:
302-406-6
Properties
Complexity:
528
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
534.432g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
535.298g/mol
Monoisotopic Mass:
534.432g/mol
Rotatable Bond Count:
24
Topological Polar Surface Area:
32.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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