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125094-13-5 | 1-Methyl-2-[(1-methyl-1H-imidazol-2-yl)(octyloxy)methyl]-1H-imidazole
CAS No: 125094-13-5 Catalog No: AG01ER9X MDL No:
Product Description
Catalog Number:
AG01ER9X
Chemical Name:
1-Methyl-2-[(1-methyl-1H-imidazol-2-yl)(octyloxy)methyl]-1H-imidazole
CAS Number:
125094-13-5
Molecular Formula:
C17H28N4O
Molecular Weight:
304.4304
IUPAC Name:
1-methyl-2-[(1-methylimidazol-2-yl)-octoxymethyl]imidazole
InChI:
InChI=1S/C17H28N4O/c1-4-5-6-7-8-9-14-22-15(16-18-10-12-20(16)2)17-19-11-13-21(17)3/h10-13,15H,4-9,14H2,1-3H3
InChI Key:
PIDRVLYMNGNSPO-UHFFFAOYSA-N
SMILES:
CCCCCCCCOC(c1nccn1C)c1nccn1C
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.226g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.438g/mol
Monoisotopic Mass:
304.226g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
44.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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