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89721-27-7 | Ethanamine, N,N-dimethyl-2-[(1-phenyl-3-isoquinolinyl)thio]-
CAS No: 89721-27-7 Catalog No: AG00431M MDL No:
Product Description
Catalog Number:
AG00431M
Chemical Name:
Ethanamine, N,N-dimethyl-2-[(1-phenyl-3-isoquinolinyl)thio]-
CAS Number:
89721-27-7
Molecular Formula:
C19H20N2S
Molecular Weight:
308.4405
IUPAC Name:
N,N-dimethyl-2-(1-phenylisoquinolin-3-yl)sulfanylethanamine
InChI:
InChI=1S/C19H20N2S/c1-21(2)12-13-22-18-14-16-10-6-7-11-17(16)19(20-18)15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3
InChI Key:
SOPUKDUHWFOSEF-UHFFFAOYSA-N
SMILES:
CN(CCSc1cc2ccccc2c(n1)c1ccccc1)C
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.135g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.443g/mol
Monoisotopic Mass:
308.135g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
41.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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