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2931-68-2 | Indeno[5,4-f]pyrimido[1,2-a]quinoline, 9β-(1,5-dimethylhexyl)-1,2,3,4,4a,5,6,6a,6bα,7,8,8a,9,10,11,11aα,11bβ,12-octadecahydro-6aβ,8aβ-dimethyl- (8CI)
CAS No: 2931-68-2 Catalog No: AG002Y14 MDL No:
Product Description
Catalog Number:
AG002Y14
Chemical Name:
Indeno[5,4-f]pyrimido[1,2-a]quinoline, 9β-(1,5-dimethylhexyl)-1,2,3,4,4a,5,6,6a,6bα,7,8,8a,9,10,11,11aα,11bβ,12-octadecahydro-6aβ,8aβ-dimethyl- (8CI)
CAS Number:
2931-68-2
IUPAC Name:
1,5-dimethyl-6-(6-methylheptan-2-yl)-14,18-diazapentacyclo[11.8.0.02,10.05,9.014,19]henicos-12-ene
InChI:
InChI=1S/C29H50N2/c1-20(2)8-6-9-21(3)23-11-12-24-22-10-13-26-29(5,25(22)14-16-28(23,24)4)17-15-27-30-18-7-19-31(26)27/h13,20-25,27,30H,6-12,14-19H2,1-5H3
InChI Key:
KPZIVSIWBABTID-UHFFFAOYSA-N
NSC Number:
65680
Properties
Complexity:
682
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
426.397g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
426.733g/mol
Monoisotopic Mass:
426.397g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
8
Undefined Bond Stereocenter Count:
0
XLogP3:
9.1
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