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1823523-01-8 | 2-benzyl-6-Methoxy-1,2,3,4-tetrahydroisoquinoline
CAS No: 1823523-01-8 Catalog No: AG00AS1D MDL No:MFCD28040476
Product Description
Catalog Number:
AG00AS1D
Chemical Name:
2-benzyl-6-Methoxy-1,2,3,4-tetrahydroisoquinoline
CAS Number:
1823523-01-8
Molecular Formula:
C17H19NO
Molecular Weight:
253.3389
MDL Number:
MFCD28040476
IUPAC Name:
2-benzyl-6-methoxy-3,4-dihydro-1H-isoquinoline
InChI:
InChI=1S/C17H19NO/c1-19-17-8-7-16-13-18(10-9-15(16)11-17)12-14-5-3-2-4-6-14/h2-8,11H,9-10,12-13H2,1H3
InChI Key:
IDPLGDDZKKYYFD-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)CCN(C2)Cc1ccccc1
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.147g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.345g/mol
Monoisotopic Mass:
253.147g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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