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3161-08-8 | 6,7-dimethoxy-1-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline
CAS No: 3161-08-8 Catalog No: AG00C5ZU MDL No:MFCD00424732
Product Description
Catalog Number:
AG00C5ZU
Chemical Name:
6,7-dimethoxy-1-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline
CAS Number:
3161-08-8
Molecular Formula:
C16H18N2O2
Molecular Weight:
270.3263
MDL Number:
MFCD00424732
IUPAC Name:
6,7-dimethoxy-1-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline
InChI:
InChI=1S/C16H18N2O2/c1-19-14-8-11-5-7-18-16(12-4-3-6-17-10-12)13(11)9-15(14)20-2/h3-4,6,8-10,16,18H,5,7H2,1-2H3
InChI Key:
WUIKWQZWQDKESL-UHFFFAOYSA-N
SMILES:
COc1cc2c(cc1OC)CCNC2c1cccnc1
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.137g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.332g/mol
Monoisotopic Mass:
270.137g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Complete assignments 1H and 13C NMR spectral data of four anabaseine derivatives. | Magnetic resonance in chemistry : MRC 20061201 |
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