| CAS Number | 1841081-68-2 |
| Catalog Number | AG01C0LS |
| Chemical Name | 1,2,3,4-Tetrahydroisoquinoline-4-carboxylic acid hydrochloride |
| IUPAC Name | 1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C10H11NO2.ClH/c12-10(13)9-6-11-5-7-3-1-2-4-8(7)9;/h1-4,9,11H,5-6H2,(H,12,13);1H |
| InChI Key | QGEPUXKEOGYFMZ-UHFFFAOYSA-N |
| MDL Number | MFCD20278289 |
| Molecular Formula | C10H12ClNO2 |
| Molecular Weight | 213.6608 |
| SMILES | Cl.OC(C1C2=C(C=CC=C2)CNC1)=O |
| Synonyms | 1,2,3,4-Tetrahydroisoquinoline-4-carboxylic acid hydrochloride,
1841081-68-2,
1,2,3,4-Tetrahydro-isoquinoline-4-carboxylic acid hydrochloride,
Z-5967,
N/A,
|
| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.661g/mol |
| Monoisotopic Mass | 213.056g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
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