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16135-43-6 | Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-, hydrochloride (1:1)
CAS No: 16135-43-6 Catalog No: AG001SDX MDL No:
Product Description
Catalog Number:
AG001SDX
Chemical Name:
Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-, hydrochloride (1:1)
CAS Number:
16135-43-6
Molecular Formula:
C12H18ClNO2
Molecular Weight:
243.7298
IUPAC Name:
6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride
InChI:
InChI=1S/C12H17NO2.ClH/c1-13-5-4-9-6-11(14-2)12(15-3)7-10(9)8-13;/h6-7H,4-5,8H2,1-3H3;1H
InChI Key:
PLUNNRJXHUNDQO-UHFFFAOYSA-N
SMILES:
COc1cc2CN(C)CCc2cc1OC.Cl
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.103g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.731g/mol
Monoisotopic Mass:
243.103g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
21.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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