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104967-54-6 | Quinoline, 2-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,3,4-tetrahydro-
CAS No: 104967-54-6 Catalog No: AG007FZL MDL No:
Product Description
Catalog Number:
AG007FZL
Chemical Name:
Quinoline, 2-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,3,4-tetrahydro-
CAS Number:
104967-54-6
Molecular Formula:
C19H23NO2
Molecular Weight:
297.3914
IUPAC Name:
2-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,3,4-tetrahydroquinoline
InChI:
InChI=1S/C19H23NO2/c1-21-18-12-8-14(13-19(18)22-2)7-10-16-11-9-15-5-3-4-6-17(15)20-16/h3-6,8,12-13,16,20H,7,9-11H2,1-2H3
InChI Key:
FYJFAAHVQJERQQ-UHFFFAOYSA-N
SMILES:
COc1cc(CCC2CCc3c(N2)cccc3)ccc1OC
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.173g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
297.398g/mol
Monoisotopic Mass:
297.173g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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