| CAS Number | 2007919-93-7 |
| Catalog Number | AG002D0L(AGN-PC-0WNH8D) |
| Chemical Name | 4-Piperidinecarboxylic acid, 2-(trifluoromethyl)-, hydrochloride (1:1) |
| IUPAC Name | 2-(trifluoromethyl)piperidine-4-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C7H10F3NO2.ClH/c8-7(9,10)5-3-4(6(12)13)1-2-11-5;/h4-5,11H,1-3H2,(H,12,13);1H |
| InChI Key | MSUATQFDGCXRGM-UHFFFAOYSA-N |
| MDL Number | MFCD29918541 |
| Molecular Formula | C7H11ClF3NO2 |
| Molecular Weight | 233.6159 |
| SMILES | Cl.O=C(O)C1CCNC(C(F)(F)F)C1 |
| Synonyms | 2-(Trifluoromethyl)piperidine-4-carboxylic acid hydrochloride,
2007919-93-7,
2-(Trifluoromethyl)piperidine-4-carboxylic acid HCl,
KS-000008QW,
MFCD29918541,
AKOS030628552,
AS-52991,
CS-0052199,
4-Piperidinecarboxylic acid, 2-(trifluoromethyl)-, hydrochloride (1:1),
na,
|
| Complexity | 204 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.615g/mol |
| Monoisotopic Mass | 233.043g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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