| CAS Number | 1211582-61-4 |
| Catalog Number | AG009WHO(AGN-PC-0WBRI5) |
| Chemical Name | 1-Boc-4-amino-4-trifluoromethylpiperidine |
| IUPAC Name | tert-butyl 4-amino-4-(trifluoromethyl)piperidine-1-carboxylate |
| InChI | InChI=1S/C11H19F3N2O2/c1-9(2,3)18-8(17)16-6-4-10(15,5-7-16)11(12,13)14/h4-7,15H2,1-3H3 |
| InChI Key | NYPUFDUCDMKIGM-UHFFFAOYSA-N |
| MDL Number | MFCD11848165 |
| Molecular Formula | C11H19F3N2O2 |
| Molecular Weight | 268.2760 |
| SMILES | O=C(N1CCC(C(F)(F)F)(N)CC1)OC(C)(C)C |
| Synonyms | 1211582-61-4,
TERT-BUTYL 4-AMINO-4-(TRIFLUOROMETHYL)PIPERIDINE-1-CARBOXYLATE,
1-Boc-4-amino-4-trifluoromethylpiperidine,
SCHEMBL3250470,
NYPUFDUCDMKIGM-UHFFFAOYSA-N,
MFCD11848165,
ZINC71373325,
AKOS023166193,
PB14975,
KS-000007I3,
SC-14854,
1-Boc-4-amino-4-(trifluoromethyl)piperidine,
CS-0048227,
EN300-90508,
Q-4131,
t-Butyl 4-amino-4-(trifluoromethyl)piperidine-1-carboxylate,
4-Amino-1-(tert-butoxycarbonyl)-4-(trifluoromethyl)piperidine,
1-Benzyl-4-trifluoromethyl-piperidin-4-ylamine 4-Amino-4-trifluoromethyl-piperidine-1-carboxylic acid tert-butyl ester,
4-Amino-4-trifluoromethyl-piperidine-1-carboxylic,
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| Complexity | 315 |
| 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 | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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