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128942-65-4 | Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-4-phenyl-
CAS No: 128942-65-4 Catalog No: AG000YOW MDL No:MFCD11501291
Product Description
Catalog Number:
AG000YOW
Chemical Name:
Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-4-phenyl-
CAS Number:
128942-65-4
Molecular Formula:
C18H21NO2
Molecular Weight:
283.3648
MDL Number:
MFCD11501291
IUPAC Name:
6,7-dimethoxy-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline
InChI:
InChI=1S/C18H21NO2/c1-19-11-14-9-17(20-2)18(21-3)10-15(14)16(12-19)13-7-5-4-6-8-13/h4-10,16H,11-12H2,1-3H3
InChI Key:
UCHSAEZQABWFFN-UHFFFAOYSA-N
SMILES:
COc1cc2c(cc1OC)CN(CC2c1ccccc1)C
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.157g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.371g/mol
Monoisotopic Mass:
283.157g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
21.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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