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298196-89-1 | 6,7-Dimethoxy-1-pyridin-4-yl-1,2,3,4-tetrahydro-isoquinoline dihydrochloride
CAS No: 298196-89-1 Catalog No: AG01F4AV MDL No:
Product Description
Catalog Number:
AG01F4AV
Chemical Name:
6,7-Dimethoxy-1-pyridin-4-yl-1,2,3,4-tetrahydro-isoquinoline dihydrochloride
CAS Number:
298196-89-1
Molecular Formula:
C16H20Cl2N2O2
Molecular Weight:
343.2482
IUPAC Name:
6,7-dimethoxy-1-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline;dihydrochloride
InChI:
InChI=1S/C16H18N2O2.2ClH/c1-19-14-9-12-5-8-18-16(11-3-6-17-7-4-11)13(12)10-15(14)20-2;;/h3-4,6-7,9-10,16,18H,5,8H2,1-2H3;2*1H
InChI Key:
PYZJOSDWHSYBKU-UHFFFAOYSA-N
SMILES:
COc1cc2c(cc1OC)CCNC2c1ccncc1.Cl.Cl
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.09g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
343.248g/mol
Monoisotopic Mass:
342.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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