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897035-05-1 | 1-(2-HYDROXYNAPHTH-1-YL)-1,2,3,4-TETRAHYDROISOQUINOLINE
CAS No: 897035-05-1 Catalog No: AG0044A9 MDL No:
Product Description
Catalog Number:
AG0044A9
Chemical Name:
1-(2-HYDROXYNAPHTH-1-YL)-1,2,3,4-TETRAHYDROISOQUINOLINE
CAS Number:
897035-05-1
Molecular Formula:
C19H17NO
Molecular Weight:
275.3444
IUPAC Name:
1-(1,2,3,4-tetrahydroisoquinolin-1-yl)naphthalen-2-ol
InChI:
InChI=1S/C19H17NO/c21-17-10-9-13-5-1-3-7-15(13)18(17)19-16-8-4-2-6-14(16)11-12-20-19/h1-10,19-21H,11-12H2
InChI Key:
COTUWXPUIXXECS-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1C1NCCc3c1cccc3)cccc2
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.131g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
275.351g/mol
Monoisotopic Mass:
275.131g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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