| CAS Number | 1258637-94-3 |
| Catalog Number | AG000OVR(AGN-PC-0WD8KW) |
| Chemical Name | tert-butyl 4-(2-amino-1,1-difluoroethyl)piperidine-1-carboxylate |
| IUPAC Name | tert-butyl 4-(2-amino-1,1-difluoroethyl)piperidine-1-carboxylate |
| InChI | InChI=1S/C12H22F2N2O2/c1-11(2,3)18-10(17)16-6-4-9(5-7-16)12(13,14)8-15/h9H,4-8,15H2,1-3H3 |
| InChI Key | JPAFVXCGQPKXSN-UHFFFAOYSA-N |
| MDL Number | MFCD18433789 |
| Molecular Formula | C12H22F2N2O2 |
| Molecular Weight | 264.3121 |
| SMILES | O=C(N1CCC(C(F)(F)CN)CC1)OC(C)(C)C |
| Synonyms | 1258637-94-3,
tert-butyl 4-(2-amino-1,1-difluoroethyl)piperidine-1-carboxylate,
MFCD18433789,
AKOS030238361,
ZINC238149001,
SB12787,
KS-000004Q4,
AS-53331,
CS-0048265,
1-Boc-4-(2-amino-1,1-difluoroethyl)piperidine,
t-Butyl 4-(2-amino-1,1-difluoroethyl)piperidine-1-carboxylate,
tert-butyl4-(2-amino-1,1-difluoroethyl)piperidine-1-carboxylate,
1-Piperidinecarboxylic acid, 4-(2-amino-1,1-difluoroethyl)-, 1,1-dimethylethyl ester,
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| Complexity | 295 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 264.165g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.317g/mol |
| Monoisotopic Mass | 264.165g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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