Synonyms
Cinchonine monohydrochloride hydrate, 99%; NCGC00013067-01; (S)-[(2R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol; AC-30194; DSSTox_RID_80657; LA40221; NSC6176; NSC 6176; (S)-[(2R,5R)-5-Vinyl-1-azabicyclo[2.2.2]octane-2-yl](4-quinolyl)methanol; 206986-88-1;
IUPAC Name
(S)-[(2R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol;
Molecular Weight
294.398g/mol
Molecular Formula
C19H22N2O;
Canonical SMILES
C=CC1CN2CCC1CC2C(C3=CC=NC4=CC=CC=C34)O;
InChI
InChI=1S/C19H22N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h2-7,9,13-14,18-19,22H,1,8,10-12H2/t13-,14 ,18+,19-/m0/s1;
InChI Key
KMPWYEUPVWOPIM-FGVBSWQGSA-N;
Melting Point
237.75°C;
Solubility
7.44e-04 M;
Complexity
412
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
3
EC Number
204-234-6
Exact Mass
294.173g/mol
H-Bond Acceptor
3
H-Bond Donor
1
Heavy Atom Count
22
Monoisotopic Mass
294.173g/mol
Rotatable Bond Count
3
Topological Polar Surface Area
36.4A^2
Undefined Atom Stereocenter Count
1
