| CAS Number | 1260901-24-3 |
| Catalog Number | AG000RLB(AGN-PC-0WG3R7) |
| Chemical Name | 3-Aminomethyl-3-trifluoromethyl-pyrrolidine-1-carboxylic acid tert-butyl ester |
| IUPAC Name | tert-butyl 3-(aminomethyl)-3-(trifluoromethyl)pyrrolidine-1-carboxylate |
| InChI | InChI=1S/C11H19F3N2O2/c1-9(2,3)18-8(17)16-5-4-10(6-15,7-16)11(12,13)14/h4-7,15H2,1-3H3 |
| InChI Key | AHOVYALWYSSMRR-UHFFFAOYSA-N |
| MDL Number | MFCD11848049 |
| Molecular Formula | C11H19F3N2O2 |
| Molecular Weight | 268.2760 |
| SMILES | CC(OC(N1CC(C(F)(F)F)(CN)CC1)=O)(C)C |
| Synonyms | 1260901-24-3,
3-AMINOMETHYL-3-TRIFLUOROMETHYL-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER,
tert-butyl 3-(aminomethyl)-3-(trifluoromethyl)pyrrolidine-1-carboxylate,
MFCD11848049,
AKOS027255303,
AS-39642,
SC-29619,
CS-0037940,
3-Aminomethyl-3-trifluoromethyl-pyrrolidine-1-carb,
1-Pyrrolidinecarboxylic acid, 3-(aminomethyl)-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 | 3 |
| Topological Polar Surface Area | 55.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
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