| CAS Number | 1216276-20-8 |
| Catalog Number | AG009DDV(AGN-PC-0WCR5D) |
| Chemical Name | 2-(N-Boc-aminomethyl)-5-(trifluoromethyl)pyridine |
| IUPAC Name | tert-butyl N-[[5-(trifluoromethyl)pyridin-2-yl]methyl]carbamate |
| InChI | InChI=1S/C12H15F3N2O2/c1-11(2,3)19-10(18)17-7-9-5-4-8(6-16-9)12(13,14)15/h4-6H,7H2,1-3H3,(H,17,18) |
| InChI Key | KLBRLCPKYUNNEB-UHFFFAOYSA-N |
| MDL Number | MFCD13187674 |
| Molecular Formula | C12H15F3N2O2 |
| Molecular Weight | 276.2549 |
| SMILES | FC(C1=CN=C(CNC(OC(C)(C)C)=O)C=C1)(F)F |
| Synonyms | 1216276-20-8,
2-(N-Boc-aminomethyl)-5-(trifluoromethyl)pyridine,
tert-butyl (5-(trifluoromethyl)pyridin-2-yl)methylcarbamate,
DTXSID40856624,
MFCD13187674,
ZINC40542183,
QC-3509,
AB0091290,
C-0316,
2-(N-Boc-aminomethyl)--5-(trifluoromethyl)pyridine,
tert-Butyl {[5-(trifluoromethyl)pyridin-2-yl]methyl}carbamate,
tert-butyl N-[[5-(trifluoromethyl)pyridin-2-yl]methyl]carbamate,
2-(N-Boc-aminomethyl)--5-(trifluoromethyl)pyridine, 95% - 1G 1g,
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| Complexity | 313 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 276.109g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 276.259g/mol |
| Monoisotopic Mass | 276.109g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 51.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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