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83658-44-0 | N,N-dimethyl-2-[1-(3-methylphenyl)-3,4-dihydroisoquinolin-3-yl]ethanamine; oxalic acid
CAS No: 83658-44-0 Catalog No: AG0056V7 MDL No:
Product Description
Catalog Number:
AG0056V7
Chemical Name:
N,N-dimethyl-2-[1-(3-methylphenyl)-3,4-dihydroisoquinolin-3-yl]ethanamine; oxalic acid
CAS Number:
83658-44-0
Molecular Formula:
C22H26N2O4
Molecular Weight:
382.4528
IUPAC Name:
N,N-dimethyl-2-[1-(3-methylphenyl)-3,4-dihydroisoquinolin-3-yl]ethanamine;oxalic acid
InChI:
InChI=1S/C20H24N2.2C2H2O4/c1-15-7-6-9-17(13-15)20-19-10-5-4-8-16(19)14-18(21-20)11-12-22(2)3;2*3-1(4)2(5)6/h4-10,13,18H,11-12,14H2,1-3H3;2*(H,3,4)(H,5,6)
InChI Key:
VTNZZGOZCBWINL-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)O.CN(CCC1Cc2ccccc2C(=N1)c1cccc(c1)C)C
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
472.185g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
472.494g/mol
Monoisotopic Mass:
472.185g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
165A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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