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473267-05-9 | 1-(3,4-DIHYDROISOQUINOLIN-2(1H)-YL)-3-(2,4-DIMETHYLPHENOXY)PROPAN-2-OL HY+
CAS No: 473267-05-9 Catalog No: AG01AQ32 MDL No:MFCD02053364
Product Description
Catalog Number:
AG01AQ32
Chemical Name:
1-(3,4-DIHYDROISOQUINOLIN-2(1H)-YL)-3-(2,4-DIMETHYLPHENOXY)PROPAN-2-OL HY+
CAS Number:
473267-05-9
Molecular Formula:
C20H26ClNO2
Molecular Weight:
347.8789
MDL Number:
MFCD02053364
IUPAC Name:
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(2,4-dimethylphenoxy)propan-2-ol;hydrochloride
InChI:
InChI=1S/C20H25NO2.ClH/c1-15-7-8-20(16(2)11-15)23-14-19(22)13-21-10-9-17-5-3-4-6-18(17)12-21;/h3-8,11,19,22H,9-10,12-14H2,1-2H3;1H
InChI Key:
DJTRQSJNROZKMH-UHFFFAOYSA-N
SMILES:
OC(CN1CCc2c(C1)cccc2)COc1ccc(cc1C)C.Cl
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.165g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
347.883g/mol
Monoisotopic Mass:
347.165g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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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