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Home > Imidazoles > 831170-31-1
831170-31-1 | Pyridine, 2-[1-butyl-2-(2-methylpropyl)-1H-imidazol-4-yl]-
CAS No: 831170-31-1 Catalog No: AG004WRF MDL No:
Product Description
Catalog Number:
AG004WRF
Chemical Name:
Pyridine, 2-[1-butyl-2-(2-methylpropyl)-1H-imidazol-4-yl]-
CAS Number:
831170-31-1
Molecular Formula:
C16H23N3
Molecular Weight:
257.3739
IUPAC Name:
2-[1-butyl-2-(2-methylpropyl)imidazol-4-yl]pyridine
InChI:
InChI=1S/C16H23N3/c1-4-5-10-19-12-15(14-8-6-7-9-17-14)18-16(19)11-13(2)3/h6-9,12-13H,4-5,10-11H2,1-3H3
InChI Key:
KLYCHKUXRDUQPX-UHFFFAOYSA-N
SMILES:
CCCCn1cc(nc1CC(C)C)c1ccccn1
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.189g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.381g/mol
Monoisotopic Mass:
257.189g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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