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89549-06-4 | Isoquinoline, 8-ethyl-1,2,3,4-tetrahydro-5,6-dimethoxy-2-methyl-
CAS No: 89549-06-4 Catalog No: AG003ZNQ MDL No:
Product Description
Catalog Number:
AG003ZNQ
Chemical Name:
Isoquinoline, 8-ethyl-1,2,3,4-tetrahydro-5,6-dimethoxy-2-methyl-
CAS Number:
89549-06-4
Molecular Formula:
C14H21NO2
Molecular Weight:
235.3220
IUPAC Name:
8-ethyl-5,6-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
InChI:
InChI=1S/C14H21NO2/c1-5-10-8-13(16-3)14(17-4)11-6-7-15(2)9-12(10)11/h8H,5-7,9H2,1-4H3
InChI Key:
JCZWTVCUBAFADN-UHFFFAOYSA-N
SMILES:
CCc1cc(OC)c(c2c1CN(C)CC2)OC
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.157g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.327g/mol
Monoisotopic Mass:
235.157g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
21.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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