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Home > Imidazoles > 68134-26-9
68134-26-9 | 2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethyl octadecanoate
CAS No: 68134-26-9 Catalog No: AG005ZTE MDL No:
Product Description
Catalog Number:
AG005ZTE
Chemical Name:
2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethyl octadecanoate
CAS Number:
68134-26-9
Molecular Formula:
C40H78N2O2
Molecular Weight:
619.0595
IUPAC Name:
2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethyl octadecanoate
InChI:
InChI=1S/C40H78N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39-41-35-36-42(39)37-38-44-40(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-38H2,1-2H3
InChI Key:
BEGOFGGVFXBVLG-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCC(=O)OCCN1CCN=C1CCCCCCCCCCCCCCCCC
EC Number:
268-738-8
Properties
Complexity:
635
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
618.606g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
619.076g/mol
Monoisotopic Mass:
618.606g/mol
Rotatable Bond Count:
36
Topological Polar Surface Area:
41.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
16.1
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