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Home > Imidazoles > 82799-41-5
82799-41-5 | 2-[2-(8-HEPTADECENYL)-4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ETHYL OLEATE
CAS No: 82799-41-5 Catalog No: AG008IJ1 MDL No:
Product Description
Catalog Number:
AG008IJ1
Chemical Name:
2-[2-(8-HEPTADECENYL)-4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ETHYL OLEATE
CAS Number:
82799-41-5
Molecular Formula:
C40H74N2O2
Molecular Weight:
615.0278
IUPAC Name:
2-(2-heptadec-8-enyl-4,5-dihydroimidazol-1-yl)ethyl octadec-9-enoate
InChI:
InChI=1S/C40H74N2O2/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/h17-20H,3-16,21-38H2,1-2H3
InChI Key:
RHTUFTVIAUFAFS-UHFFFAOYSA-N
SMILES:
CCCCCCCC/C=C\CCCCCCCC(=O)OCCN1CCN=C1CCCCCCCC=CCCCCCCCC
EC Number:
280-038-4
Properties
Complexity:
714
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
614.575g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
615.044g/mol
Monoisotopic Mass:
614.575g/mol
Rotatable Bond Count:
34
Topological Polar Surface Area:
41.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
14.3
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