| CAS Number | 404576-49-4 |
| Catalog Number | AG01DWEU(AGN-PC-0OA375) |
| Chemical Name | 6-Ethyl-1,2,3,4-tetrahydroisoquinoline Hydrochloride |
| IUPAC Name | 6-ethyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride |
| InChI | InChI=1S/C11H15N.ClH/c1-2-9-3-4-11-8-12-6-5-10(11)7-9;/h3-4,7,12H,2,5-6,8H2,1H3;1H |
| InChI Key | LPPSHXCGOBXTCT-UHFFFAOYSA-N |
| MDL Number | MFCD28900411 |
| Molecular Formula | C11H16ClN |
| Molecular Weight | 197.7044 |
| SMILES | Cl.CCC1=CC2=C(CNCC2)C=C1 |
| Synonyms | 6-ethyl-1,2,3,4-tetrahydroisoquinoline hydrochloride,
404576-49-4,
6-Ethyl-1,2,3,4-tetrahydro-isoquinoline hydrochloride,
|
| Complexity | 144 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.097g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.706g/mol |
| Monoisotopic Mass | 197.097g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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