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Home > Imidazoles > 93882-42-9
93882-42-9 | N-[2-[2-HEPTADECENYL-4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ETHYL]OCTADECENAMIDE
CAS No: 93882-42-9 Catalog No: AG00H8FG MDL No:
Product Description
Catalog Number:
AG00H8FG
Chemical Name:
N-[2-[2-HEPTADECENYL-4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ETHYL]OCTADECENAMIDE
CAS Number:
93882-42-9
Molecular Formula:
C40H75N3O
Molecular Weight:
614.0430
IUPAC Name:
N-[2-(2-heptadec-1-enyl-4,5-dihydroimidazol-1-yl)ethyl]octadec-2-enamide
InChI:
InChI=1S/C40H75N3O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39-41-35-37-43(39)38-36-42-40(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-34H,3-30,35-38H2,1-2H3,(H,42,44)
InChI Key:
QBKYKLLNSADWFU-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCC=CC(=O)NCCN1CCN=C1C=CCCCCCCCCCCCCCCC
EC Number:
299-436-4
Properties
Complexity:
713
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
613.591g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
614.06g/mol
Monoisotopic Mass:
613.591g/mol
Rotatable Bond Count:
33
Topological Polar Surface Area:
44.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
15.3
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