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Home > Imidazoles > 131985-83-6
131985-83-6 | 1H-Imidazole, 4,4'-methylenebis[2-heptadecyl-5-methyl- (9CI)
CAS No: 131985-83-6 Catalog No: AG00100Y MDL No:
Product Description
Catalog Number:
AG00100Y
Chemical Name:
1H-Imidazole, 4,4'-methylenebis[2-heptadecyl-5-methyl- (9CI)
CAS Number:
131985-83-6
Molecular Formula:
C43H80N4
Molecular Weight:
653.1221
IUPAC Name:
2-heptadecyl-4-[(2-heptadecyl-5-methyl-1H-imidazol-4-yl)methyl]-5-methyl-1H-imidazole
InChI:
InChI=1S/C43H80N4/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-42-44-38(3)40(46-42)37-41-39(4)45-43(47-41)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h5-37H2,1-4H3,(H,44,46)(H,45,47)
InChI Key:
AIJKPTWNBWPWKT-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCc1nc(c([nH]1)C)Cc1nc([nH]c1C)CCCCCCCCCCCCCCCCC
Properties
Complexity:
602
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
652.638g/mol
Formal Charge:
0
Heavy Atom Count:
47
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
653.141g/mol
Monoisotopic Mass:
652.638g/mol
Rotatable Bond Count:
34
Topological Polar Surface Area:
57.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
18.5
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