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99672-64-7 | 1-Isobutyl-9,10-dimethoxy-3,4,6,7-tetrahydro-1H-pyrido[2,1-a]isoquinolin-2(11bH)-one
CAS No: 99672-64-7 Catalog No: AG00IKBP MDL No:
Product Description
Catalog Number:
AG00IKBP
Chemical Name:
1-Isobutyl-9,10-dimethoxy-3,4,6,7-tetrahydro-1H-pyrido[2,1-a]isoquinolin-2(11bH)-one
CAS Number:
99672-64-7
IUPAC Name:
9,10-dimethoxy-1-(2-methylpropyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
InChI:
InChI=1S/C19H27NO3/c1-12(2)9-15-16(21)6-8-20-7-5-13-10-17(22-3)18(23-4)11-14(13)19(15)20/h10-12,15,19H,5-9H2,1-4H3
InChI Key:
QHKOTJDXBVOEMS-UHFFFAOYSA-N
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.199g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.429g/mol
Monoisotopic Mass:
317.199g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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