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96315-82-1 | 1-(4-Methylphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride
CAS No: 96315-82-1 Catalog No: AG0067TJ MDL No:
Product Description
Catalog Number:
AG0067TJ
Chemical Name:
1-(4-Methylphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride
CAS Number:
96315-82-1
Molecular Formula:
C18H22ClNO2
Molecular Weight:
319.8258
IUPAC Name:
6,7-dimethoxy-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride
InChI:
InChI=1S/C18H21NO2.ClH/c1-12-4-6-13(7-5-12)18-15-11-17(21-3)16(20-2)10-14(15)8-9-19-18;/h4-7,10-11,18-19H,8-9H2,1-3H3;1H
InChI Key:
FCVKSSUPLOWTDX-UHFFFAOYSA-N
SMILES:
COc1cc2c(cc1OC)CCNC2c1ccc(cc1)C.Cl
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.134g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
319.829g/mol
Monoisotopic Mass:
319.134g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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