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301325-93-9 | 4-(6,7-DIMETHOXY-1,2,3,4-TETRAHYDRO-ISOQUINOLIN-1-YL)-PHENOL
CAS No: 301325-93-9 Catalog No: AG01APZP MDL No:MFCD00420046
Product Description
Catalog Number:
AG01APZP
Chemical Name:
4-(6,7-DIMETHOXY-1,2,3,4-TETRAHYDRO-ISOQUINOLIN-1-YL)-PHENOL
CAS Number:
301325-93-9
Molecular Formula:
C17H19NO3
Molecular Weight:
285.3377
MDL Number:
MFCD00420046
IUPAC Name:
4-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)phenol
InChI:
InChI=1S/C17H19NO3/c1-20-15-9-12-7-8-18-17(14(12)10-16(15)21-2)11-3-5-13(19)6-4-11/h3-6,9-10,17-19H,7-8H2,1-2H3
InChI Key:
ZTQXEYAKPXBTSL-UHFFFAOYSA-N
SMILES:
COc1cc2c(cc1OC)CCNC2c1ccc(cc1)O
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.136g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
285.343g/mol
Monoisotopic Mass:
285.136g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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