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Home > Imidazoles > 85889-74-3
85889-74-3 | 1H-Imidazole, 1-(3,7-dimethyl-6-octenyl)-5-phenyl-
CAS No: 85889-74-3 Catalog No: AG004QRI MDL No:
Product Description
Catalog Number:
AG004QRI
Chemical Name:
1H-Imidazole, 1-(3,7-dimethyl-6-octenyl)-5-phenyl-
CAS Number:
85889-74-3
Molecular Formula:
C19H26N2
Molecular Weight:
282.4231
IUPAC Name:
1-(3,7-dimethyloct-6-enyl)-5-phenylimidazole
InChI:
InChI=1S/C19H26N2/c1-16(2)8-7-9-17(3)12-13-21-15-20-14-19(21)18-10-5-4-6-11-18/h4-6,8,10-11,14-15,17H,7,9,12-13H2,1-3H3
InChI Key:
JLIJBGNNSFXRNE-UHFFFAOYSA-N
SMILES:
CC(CCn1cncc1c1ccccc1)CCC=C(C)C
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.21g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.431g/mol
Monoisotopic Mass:
282.21g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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