200,000+ products from a single source!
sales@angenechem.com
23158-25-0 | 2H-Benzo[a]quinolizine-3-propanenitrile, 1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2-oxo-
CAS No: 23158-25-0 Catalog No: AG002MEJ MDL No:
Product Description
Catalog Number:
AG002MEJ
Chemical Name:
2H-Benzo[a]quinolizine-3-propanenitrile, 1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2-oxo-
CAS Number:
23158-25-0
Molecular Formula:
C18H22N2O3
Molecular Weight:
314.3789
IUPAC Name:
3-(9,10-dimethoxy-2-oxo-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-3-yl)propanenitrile
InChI:
InChI=1S/C18H22N2O3/c1-22-17-8-12-5-7-20-11-13(4-3-6-19)16(21)10-15(20)14(12)9-18(17)23-2/h8-9,13,15H,3-5,7,10-11H2,1-2H3
InChI Key:
QLSCNQCATINUIJ-UHFFFAOYSA-N
SMILES:
N#CCCC1CN2CCc3c(C2CC1=O)cc(c(c3)OC)OC
Properties
Complexity:
486
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.163g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.385g/mol
Monoisotopic Mass:
314.163g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.