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Home > Quinoline > 897035-07-3
897035-07-3 | 1-(2-HYDROXYNAPHTH-1-YL)-6,7-DIMETHOXY-1,2,3,4-TETRAHYDROISOQUINOLINE
CAS No: 897035-07-3 Catalog No: AG0042LW MDL No:
Product Description
Catalog Number:
AG0042LW
Chemical Name:
1-(2-HYDROXYNAPHTH-1-YL)-6,7-DIMETHOXY-1,2,3,4-TETRAHYDROISOQUINOLINE
CAS Number:
897035-07-3
Molecular Formula:
C21H21NO3
Molecular Weight:
335.3963
IUPAC Name:
1-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)naphthalen-2-ol
InChI:
InChI=1S/C21H21NO3/c1-24-18-11-14-9-10-22-21(16(14)12-19(18)25-2)20-15-6-4-3-5-13(15)7-8-17(20)23/h3-8,11-12,21-23H,9-10H2,1-2H3
InChI Key:
HKLKGEIEZNATJU-UHFFFAOYSA-N
SMILES:
COc1cc2c(cc1OC)CCNC2c1c(O)ccc2c1cccc2
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.152g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
335.403g/mol
Monoisotopic Mass:
335.152g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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