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89707-17-5 | Isoquinoline, 3-[2-(4-morpholinyl)ethoxy]-1-phenyl-
CAS No: 89707-17-5 Catalog No: AG008857 MDL No:
Product Description
Catalog Number:
AG008857
Chemical Name:
Isoquinoline, 3-[2-(4-morpholinyl)ethoxy]-1-phenyl-
CAS Number:
89707-17-5
Molecular Formula:
C21H22N2O2
Molecular Weight:
334.4116
IUPAC Name:
4-[2-(1-phenylisoquinolin-3-yl)oxyethyl]morpholine
InChI:
InChI=1S/C21H22N2O2/c1-2-6-17(7-3-1)21-19-9-5-4-8-18(19)16-20(22-21)25-15-12-23-10-13-24-14-11-23/h1-9,16H,10-15H2
InChI Key:
NJGURVPEFBQLAK-UHFFFAOYSA-N
SMILES:
O1CCN(CC1)CCOc1cc2ccccc2c(n1)c1ccccc1
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.168g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.419g/mol
Monoisotopic Mass:
334.168g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
34.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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