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93783-20-1 | 4,5-DIHYDRO-1,3-BIS(2-HYDROXYETHYL)-2-PENTADECYL-1H-IMIDAZOLIUM CHLORIDE
CAS No: 93783-20-1 Catalog No: AG006DRH MDL No:
Product Description
Catalog Number:
AG006DRH
Chemical Name:
4,5-DIHYDRO-1,3-BIS(2-HYDROXYETHYL)-2-PENTADECYL-1H-IMIDAZOLIUM CHLORIDE
CAS Number:
93783-20-1
Molecular Formula:
C22H47ClN2O2
Molecular Weight:
407.0738
IUPAC Name:
2-[3-(2-hydroxyethyl)-2-pentadecyl-4,5-dihydroimidazol-3-ium-1-yl]ethanol;chloride
InChI:
InChI=1S/C22H45N2O2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-23(18-20-25)16-17-24(22)19-21-26;/h25-26H,2-21H2,1H3;1H/q+1;/p-1
InChI Key:
NZCJLFZDLDDAMZ-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCCCCCC1N(CCO)CC[NH+]1CCO.[Cl-]
EC Number:
298-227-5
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
404.317g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
405.064g/mol
Monoisotopic Mass:
404.317g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
46.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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