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89707-30-2 | Ethanamine, N,N-diethyl-2-[(1-phenyl-3-isoquinolinyl)oxy]-
CAS No: 89707-30-2 Catalog No: AG0042EW MDL No:
Product Description
Catalog Number:
AG0042EW
Chemical Name:
Ethanamine, N,N-diethyl-2-[(1-phenyl-3-isoquinolinyl)oxy]-
CAS Number:
89707-30-2
Molecular Formula:
C21H24N2O
Molecular Weight:
320.4281
IUPAC Name:
N,N-diethyl-2-(1-phenylisoquinolin-3-yl)oxyethanamine
InChI:
InChI=1S/C21H24N2O/c1-3-23(4-2)14-15-24-20-16-18-12-8-9-13-19(18)21(22-20)17-10-6-5-7-11-17/h5-13,16H,3-4,14-15H2,1-2H3
InChI Key:
PNQBBZZRNNQWEV-UHFFFAOYSA-N
SMILES:
CCN(CCOc1cc2ccccc2c(n1)c1ccccc1)CC
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.189g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.436g/mol
Monoisotopic Mass:
320.189g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
25.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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