| CAS Number | 1190890-14-2 |
| Catalog Number | AG01BHWD |
| Chemical Name | tert-butyl N-{2-[(2,2,2-trifluoroethyl)amino]ethyl}carbamate |
| IUPAC Name | tert-butyl N-[2-(2,2,2-trifluoroethylamino)ethyl]carbamate |
| InChI | InChI=1S/C9H17F3N2O2/c1-8(2,3)16-7(15)14-5-4-13-6-9(10,11)12/h13H,4-6H2,1-3H3,(H,14,15) |
| InChI Key | DKQRGTCZJUFLDF-UHFFFAOYSA-N |
| MDL Number | MFCD26881299 |
| Molecular Formula | C9H17F3N2O2 |
| Molecular Weight | 242.2387 |
| SMILES | CC(OC(NCCNCC(F)(F)F)=O)(C)C |
| Synonyms | 1190890-14-2,
TERT-BUTYL N-(2-[(2,2,2-TRIFLUOROETHYL)AMINO]ETHYL)CARBAMATE,
tert-butyl N-{2-[(2,2,2-trifluoroethyl)amino]ethyl}carbamate,
tert-butyl 2-(2,2,2-trifluoroethylamino)ethylcarbamate,
DKQRGTCZJUFLDF-UHFFFAOYSA-N,
ZINC163667452,
DA-47495,
FT-0725915,
tert-butyl {2-[(2,2,2-trifluoroethyl)amino]ethyl}carbamate,
|
| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.124g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.242g/mol |
| Monoisotopic Mass | 242.124g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 50.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
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