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89375-76-8 | 2-Butanone, 4-(1,4,5,6-tetrahydro-1-methyl[2,3'-bipyridin]-3-yl)-
CAS No: 89375-76-8 Catalog No: AG003X6Y MDL No:
Product Description
Catalog Number:
AG003X6Y
Chemical Name:
2-Butanone, 4-(1,4,5,6-tetrahydro-1-methyl[2,3'-bipyridin]-3-yl)-
CAS Number:
89375-76-8
Molecular Formula:
C15H20N2O
Molecular Weight:
244.3321
IUPAC Name:
4-(1-methyl-6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-yl)butan-2-one
InChI:
InChI=1S/C15H20N2O/c1-12(18)7-8-13-6-4-10-17(2)15(13)14-5-3-9-16-11-14/h3,5,9,11H,4,6-8,10H2,1-2H3
InChI Key:
BVRBWGXBJYUOQB-UHFFFAOYSA-N
SMILES:
CC(=O)CCC1=C(N(CCC1)C)c1cccnc1
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.158g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.338g/mol
Monoisotopic Mass:
244.158g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
33.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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