| CAS Number | 1428532-94-8 |
| Catalog Number | AG009FPF(AGN-PC-0WCY42) |
| Chemical Name | tert-Butyl (2-(difluoroMethyl)pyridin-4-yl)MethylcarbaMate |
| IUPAC Name | tert-butyl N-[[2-(difluoromethyl)pyridin-4-yl]methyl]carbamate |
| InChI | InChI=1S/C12H16F2N2O2/c1-12(2,3)18-11(17)16-7-8-4-5-15-9(6-8)10(13)14/h4-6,10H,7H2,1-3H3,(H,16,17) |
| InChI Key | GHHJONKWTNLARH-UHFFFAOYSA-N |
| MDL Number | MFCD23701108 |
| Molecular Formula | C12H16F2N2O2 |
| Molecular Weight | 258.2644 |
| SMILES | FC(C1=NC=CC(=C1)CNC(OC(C)(C)C)=O)F |
| Synonyms | 1428532-94-8,
tert-Butyl ((2-(difluoromethyl)pyridin-4-yl)methyl)carbamate,
4-(Aminomethyl)-2-(difluoromethyl)pyridine, 4-BOC protected,
ZX-AP001568,
MFCD23701108,
ZINC94986248,
AKOS027252011,
PC51204,
AK200514,
PS-11074,
4-(BOC-AMINOMETHYL)-2-(DIFLUOROMETHYL)PYRIDINE,
4-(Aminomethyl)-2-(difluoromethyl)pyridine,4-BOC protected,
tert-butyl N-[[2-(difluoromethyl)pyridin-4-yl]methyl]carbamate,
4-(Aminomethyl)-2-(difluoromethyl)pyridine,4-BOC protected, 95% - 1G 1g,
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| Complexity | 280 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.118g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.269g/mol |
| Monoisotopic Mass | 258.118g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 51.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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