| CAS Number | 1823523-01-8 |
| Catalog Number | AG00AS1D |
| Chemical Name | 2-Benzyl-6-methoxy-1,2,3,4-tetrahydroisoquinoline |
| 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 |
| MDL Number | MFCD28040476 |
| Molecular Formula | C17H19NO |
| Molecular Weight | 253.3389 |
| SMILES | COc1ccc2CN(Cc3ccccc3)CCc2c1 |
| Synonyms | 2-benzyl-6-methoxy-1,2,3,4-tetrahydroisoquinoline,
1823523-01-8,
MFCD28040476,
ZINC97758934,
FCH2900702,
AK199175,
CS-0061984,
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| 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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Certificate of Analysis
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