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301352-56-7 | 1-Benzyl-6,7-dimethoxy-3,3-dimethyl-3,4-dihydro-isoquinoline
CAS No: 301352-56-7 Catalog No: AG01EURJ MDL No:
Product Description
Catalog Number:
AG01EURJ
Chemical Name:
1-Benzyl-6,7-dimethoxy-3,3-dimethyl-3,4-dihydro-isoquinoline
CAS Number:
301352-56-7
Molecular Formula:
C20H23NO2
Molecular Weight:
309.4021
IUPAC Name:
1-benzyl-6,7-dimethoxy-3,3-dimethyl-4H-isoquinoline
InChI:
InChI=1S/C20H23NO2/c1-20(2)13-15-11-18(22-3)19(23-4)12-16(15)17(21-20)10-14-8-6-5-7-9-14/h5-9,11-12H,10,13H2,1-4H3
InChI Key:
HRSZGKQLHQQWIK-UHFFFAOYSA-N
SMILES:
COc1cc2C(=NC(Cc2cc1OC)(C)C)Cc1ccccc1
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.173g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.409g/mol
Monoisotopic Mass:
309.173g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
30.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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