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78430-95-2 | 1H-Imidazole, 1-[(3-ethenylphenyl)methyl]-2-heptadecyl-
CAS No: 78430-95-2 Catalog No: AG008MT6 MDL No:
Product Description
Catalog Number:
AG008MT6
Chemical Name:
1H-Imidazole, 1-[(3-ethenylphenyl)methyl]-2-heptadecyl-
CAS Number:
78430-95-2
Molecular Formula:
C29H46N2
Molecular Weight:
422.6889
IUPAC Name:
1-[(3-ethenylphenyl)methyl]-2-heptadecylimidazole
InChI:
InChI=1S/C29H46N2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-29-30-23-24-31(29)26-28-21-19-20-27(4-2)25-28/h4,19-21,23-25H,2-3,5-18,22,26H2,1H3
InChI Key:
JJJSSYMTBGTVNJ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCc1nccn1Cc1cccc(c1)C=C
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
422.366g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
422.701g/mol
Monoisotopic Mass:
422.366g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.2
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