| CAS Number | 1408075-51-3 |
| Catalog Number | AG001CTW(AGN-PC-0WCKB9) |
| Chemical Name | tert-butyl 3-amino-3-(trifluoromethyl)piperidine-1-carboxylate |
| IUPAC Name | tert-butyl 3-amino-3-(trifluoromethyl)piperidine-1-carboxylate |
| InChI | InChI=1S/C11H19F3N2O2/c1-9(2,3)18-8(17)16-6-4-5-10(15,7-16)11(12,13)14/h4-7,15H2,1-3H3 |
| InChI Key | JNEXPUFWSRUNAR-UHFFFAOYSA-N |
| MDL Number | MFCD23106005 |
| Molecular Formula | C11H19F3N2O2 |
| Molecular Weight | 268.2760 |
| SMILES | O=C(N1CC(C(F)(F)F)(N)CCC1)OC(C)(C)C |
| Synonyms | 1408075-51-3,
1-Boc-3-amino-3-trifluoromethylpiperidine,
tert-butyl 3-amino-3-(trifluoromethyl)piperidine-1-carboxylate,
MFCD23106005,
FCH3050818,
PB38683,
SB20703,
KS-000007I4,
AK172522,
AS-34707,
CS-0048324,
Q-4762,
1-Piperidinecarboxylic acid, 3-amino-3-(trifluoromethyl)-, 1,1-dimethylethyl ester,
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| Complexity | 325 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.14g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.28g/mol |
| Monoisotopic Mass | 268.14g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number