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88307-72-6 | Phenol, 2-(1,2,3,4-tetrahydro-6,7-dimethoxy-1-isoquinolinyl)-
CAS No: 88307-72-6 Catalog No: AG00493T MDL No:
Product Description
Catalog Number:
AG00493T
Chemical Name:
Phenol, 2-(1,2,3,4-tetrahydro-6,7-dimethoxy-1-isoquinolinyl)-
CAS Number:
88307-72-6
Molecular Formula:
C17H19NO3
Molecular Weight:
285.3377
IUPAC Name:
2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)phenol
InChI:
InChI=1S/C17H19NO3/c1-20-15-9-11-7-8-18-17(13(11)10-16(15)21-2)12-5-3-4-6-14(12)19/h3-6,9-10,17-19H,7-8H2,1-2H3
InChI Key:
MHCUVSNFIKUPME-UHFFFAOYSA-N
SMILES:
COc1cc2c(cc1OC)CCNC2c1ccccc1O
Properties
Complexity:
338
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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