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21037-88-7 | 1H-Imidazole, 1,1'-(1,2-ethanediyl)bis[2-heptadecyl-4,5-dihydro-
CAS No: 21037-88-7 Catalog No: AG002KQR MDL No:
Product Description
Catalog Number:
AG002KQR
Chemical Name:
1H-Imidazole, 1,1'-(1,2-ethanediyl)bis[2-heptadecyl-4,5-dihydro-
CAS Number:
21037-88-7
Molecular Formula:
C42H82N4
Molecular Weight:
643.1273
IUPAC Name:
2-heptadecyl-1-[2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethyl]-4,5-dihydroimidazole
InChI:
InChI=1S/C42H82N4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41-43-35-37-45(41)39-40-46-38-36-44-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-40H2,1-2H3
InChI Key:
RWHVJWKRVJWWAM-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCC1=NCCN1CCN1CCN=C1CCCCCCCCCCCCCCCCC
EC Number:
244-164-3
Properties
Complexity:
656
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
642.654g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
643.146g/mol
Monoisotopic Mass:
642.654g/mol
Rotatable Bond Count:
35
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
15.4
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