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63477-92-9 | 1-(4-Methoxy-benzyl)-octahydro-isoquinolin-4a-ol
CAS No: 63477-92-9 Catalog No: AG01EWQY MDL No:
Product Description
Catalog Number:
AG01EWQY
Chemical Name:
1-(4-Methoxy-benzyl)-octahydro-isoquinolin-4a-ol
CAS Number:
63477-92-9
Molecular Formula:
C17H25NO2
Molecular Weight:
275.3859
IUPAC Name:
1-[(4-methoxyphenyl)methyl]-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol
InChI:
InChI=1S/C17H25NO2/c1-20-14-7-5-13(6-8-14)12-16-15-4-2-3-9-17(15,19)10-11-18-16/h5-8,15-16,18-19H,2-4,9-12H2,1H3
InChI Key:
PANQQHGRCGEZCM-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CC1NCCC2(C1CCCC2)O
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.189g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
275.392g/mol
Monoisotopic Mass:
275.189g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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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