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Home > Quinoline > 113678-77-6
113678-77-6 | 4H-Dibenzo[de,g]quinoline, 5,6,6a,7-tetrahydro-11-methoxy-6-propyl-, hydrochloride, (S)- (9CI)
CAS No: 113678-77-6 Catalog No: AG0009AH MDL No:
Product Description
Catalog Number:
AG0009AH
Chemical Name:
4H-Dibenzo[de,g]quinoline, 5,6,6a,7-tetrahydro-11-methoxy-6-propyl-, hydrochloride, (S)- (9CI)
CAS Number:
113678-77-6
Molecular Formula:
C20H24ClNO
Molecular Weight:
329.8637
IUPAC Name:
(6aS)-11-methoxy-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline;hydrochloride
InChI:
InChI=1S/C20H23NO.ClH/c1-3-11-21-12-10-14-6-4-8-16-19(14)17(21)13-15-7-5-9-18(22-2)20(15)16;/h4-9,17H,3,10-13H2,1-2H3;1H/t17-;/m0./s1
InChI Key:
FDSPMFUNDIUYMT-LMOVPXPDSA-N
SMILES:
CCCN1CCc2c3[C@@H]1Cc1cccc(c1c3ccc2)OC.Cl
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
329.155g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
329.868g/mol
Monoisotopic Mass:
329.155g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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