| CAS Number | 1246509-73-8 |
| Catalog Number | AG00HHQQ(AGN-PC-0WQZ36) |
| Chemical Name | (S)-Methyl 8-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylate hydrochloride |
| IUPAC Name | methyl (8S)-8-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride |
| InChI | InChI=1S/C12H15NO2.ClH/c1-15-12(14)9-6-5-8-3-2-4-11(13)10(8)7-9;/h5-7,11H,2-4,13H2,1H3;1H/t11-;/m0./s1 |
| InChI Key | WHSIBJZKBMEFNO-MERQFXBCSA-N |
| MDL Number | MFCD22393236 |
| Molecular Formula | C12H16ClNO2 |
| Molecular Weight | 241.7139 |
| SMILES | Cl.N[C@H]1CCCC=2C=CC(=CC12)C(=O)OC |
| Synonyms | 1246509-73-8,
(S)-Methyl 8-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylate HCl,
(S)-Methyl 8-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylate hydrochloride,
MFCD22393236,
AKOS027338276,
AS-49446,
|
| Complexity | 242 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.715g/mol |
| Monoisotopic Mass | 241.087g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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