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780792-70-3 | Thiolupinine ester 8-quinoline
CAS No: 780792-70-3 Catalog No: AG00G5ON MDL No:
Product Description
Catalog Number:
AG00G5ON
Chemical Name:
Thiolupinine ester 8-quinoline
CAS Number:
780792-70-3
IUPAC Name:
8-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethylsulfanyl)quinoline
InChI:
InChI=1S/C19H24N2S/c1-2-12-21-13-5-8-16(17(21)9-1)14-22-18-10-3-6-15-7-4-11-20-19(15)18/h3-4,6-7,10-11,16-17H,1-2,5,8-9,12-14H2
InChI Key:
AGHBXQNGLDCAHT-UHFFFAOYSA-N
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.166g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.475g/mol
Monoisotopic Mass:
312.166g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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