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70055-53-7 | N-[2-(4,5-DIHYDRO-2-PENTADECYL-1H-IMIDAZOL-1-YL)ETHYL]HEXADECAN-1-AMIDE
CAS No: 70055-53-7 Catalog No: AG005R72 MDL No:
Product Description
Catalog Number:
AG005R72
Chemical Name:
N-[2-(4,5-DIHYDRO-2-PENTADECYL-1H-IMIDAZOL-1-YL)ETHYL]HEXADECAN-1-AMIDE
CAS Number:
70055-53-7
Molecular Formula:
C36H71N3O
Molecular Weight:
561.9684
IUPAC Name:
N-[2-(2-pentadecyl-4,5-dihydroimidazol-1-yl)ethyl]hexadecanamide
InChI:
InChI=1S/C36H71N3O/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/h3-34H2,1-2H3,(H,38,40)
InChI Key:
FPOOYNZMDXKXIK-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCC(=O)NCCN1CCN=C1CCCCCCCCCCCCCCC
EC Number:
274-293-0
Properties
Complexity:
576
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
561.56g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
561.984g/mol
Monoisotopic Mass:
561.56g/mol
Rotatable Bond Count:
31
Topological Polar Surface Area:
44.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
13.4
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