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Home > Imidazoles > 93882-41-8
93882-41-8 | N-[2-[4,5-DIHYDRO-2-(PENTADECENYL)-1H-IMIDAZOL-1-YL]ETHYL]HEXADECENAMIDE
CAS No: 93882-41-8 Catalog No: AG00H8J3 MDL No:
Product Description
Catalog Number:
AG00H8J3
Chemical Name:
N-[2-[4,5-DIHYDRO-2-(PENTADECENYL)-1H-IMIDAZOL-1-YL]ETHYL]HEXADECENAMIDE
CAS Number:
93882-41-8
Molecular Formula:
C36H67N3O
Molecular Weight:
557.9367
IUPAC Name:
(E)-N-[2-[2-[(E)-pentadec-1-enyl]-4,5-dihydroimidazol-1-yl]ethyl]hexadec-2-enamide
InChI:
InChI=1S/C36H67N3O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35-37-31-33-39(35)34-32-38-36(40)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h27-30H,3-26,31-34H2,1-2H3,(H,38,40)/b29-27+,30-28+
InChI Key:
NWNWLHTXOQRNML-QAVVBOBSSA-N
SMILES:
CCCCCCCCCCCCCC=CC(=O)NCCN1CCN=C1C=CCCCCCCCCCCCCC
EC Number:
299-435-9
Properties
Complexity:
654
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
557.528g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
557.952g/mol
Monoisotopic Mass:
557.528g/mol
Rotatable Bond Count:
29
Topological Polar Surface Area:
44.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
13.1
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