| CAS Number | 1311315-79-3 |
| Catalog Number | AG01AH8A |
| Chemical Name | 2,2,2-trifluoroethyl N-[2-(pyrrolidin-1-yl)pyridin-3-yl]carbamate hydrochloride |
| IUPAC Name | 2,2,2-trifluoroethyl N-(2-pyrrolidin-1-ylpyridin-3-yl)carbamate;hydrochloride |
| InChI | InChI=1S/C12H14F3N3O2.ClH/c13-12(14,15)8-20-11(19)17-9-4-3-5-16-10(9)18-6-1-2-7-18;/h3-5H,1-2,6-8H2,(H,17,19);1H |
| InChI Key | POKLJBMOJZCDRM-UHFFFAOYSA-N |
| MDL Number | MFCD18483242 |
| Molecular Formula | C12H15ClF3N3O2 |
| Molecular Weight | 325.7146 |
| SMILES | Cl.FC(COC(NC1=C(N2CCCC2)N=CC=C1)=O)(F)F |
| Synonyms | 2,2,2-trifluoroethyl N-[2-(pyrrolidin-1-yl)pyridin-3-yl]carbamate hydrochloride,
1311315-79-3,
MCULE-8059427436,
NE21105,
EN300-73978,
Z1238546126,
|
| Complexity | 332 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 325.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 325.716g/mol |
| Monoisotopic Mass | 325.08g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 54.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number