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77280-40-1 | (S)-1,2,3,4-Tetrahydro-6,7-dimethoxy-1-methyl-2-propylisoquinoline
CAS No: 77280-40-1 Catalog No: AG00GGMK MDL No:MFCD01717191
Product Description
Catalog Number:
AG00GGMK
Chemical Name:
(S)-1,2,3,4-Tetrahydro-6,7-dimethoxy-1-methyl-2-propylisoquinoline
CAS Number:
77280-40-1
Molecular Formula:
C15H23NO2
Molecular Weight:
249.3486
MDL Number:
MFCD01717191
IUPAC Name:
(1S)-6,7-dimethoxy-1-methyl-2-propyl-3,4-dihydro-1H-isoquinoline
InChI:
InChI=1S/C15H23NO2/c1-5-7-16-8-6-12-9-14(17-3)15(18-4)10-13(12)11(16)2/h9-11H,5-8H2,1-4H3/t11-/m0/s1
InChI Key:
QUINYXBLBBTXOG-NSHDSACASA-N
SMILES:
CCCN1CCc2c([C@@H]1C)cc(c(c2)OC)OC
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
249.173g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.354g/mol
Monoisotopic Mass:
249.173g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
21.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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