| CAS Number | 1820615-53-9 |
| Catalog Number | AG01ANBC |
| Chemical Name | 6-methanesulfonyl-1,2,3,4-tetrahydroquinoline hydrochloride |
| IUPAC Name | 6-methylsulfonyl-1,2,3,4-tetrahydroquinoline;hydrochloride |
| InChI | InChI=1S/C10H13NO2S.ClH/c1-14(12,13)9-4-5-10-8(7-9)3-2-6-11-10;/h4-5,7,11H,2-3,6H2,1H3;1H |
| InChI Key | MEHOLLNKUOYWKI-UHFFFAOYSA-N |
| MDL Number | MFCD29034213 |
| Molecular Formula | C10H14ClNO2S |
| Molecular Weight | 247.7417 |
| SMILES | Cl.CS(C1=CC2=C(NCCC2)C=C1)(=O)=O |
| Synonyms | 1820615-53-9,
6-methanesulfonyl-1,2,3,4-tetrahydroquinoline hydrochloride,
|
| Complexity | 294 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.737g/mol |
| Monoisotopic Mass | 247.043g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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