| CAS Number | 1330755-53-7 |
| Catalog Number | AG009DEL(AGN-PC-0WCR5C) |
| Chemical Name | 2-(N-Boc-aminomethyl)-4-methylpyridine |
| IUPAC Name | tert-butyl N-[(4-methylpyridin-2-yl)methyl]carbamate |
| InChI | InChI=1S/C12H18N2O2/c1-9-5-6-13-10(7-9)8-14-11(15)16-12(2,3)4/h5-7H,8H2,1-4H3,(H,14,15) |
| InChI Key | DMDQBEGIPFNTRA-UHFFFAOYSA-N |
| MDL Number | MFCD19981673 |
| Molecular Formula | C12H18N2O2 |
| Molecular Weight | 222.2835 |
| SMILES | CC1=CC(CNC(OC(C)(C)C)=O)=NC=C1 |
| Synonyms | 1330755-53-7,
2-(N-BOC-AMINOMETHYL)-4-METHYLPYRIDINE,
tert-Butyl ((4-methylpyridin-2-yl)methyl)carbamate,
tert-Butyl [(4-methylpyridin-2-yl)methyl]carbamate,
SCHEMBL16020311,
DTXSID80856623,
MFCD19981673,
ZINC72206904,
QC-3508,
AS-30605,
AB0070940,
AJ-120660,
C-0638,
tert-butyl (4-methylpyridin-2-yl)methylcarbamate,
tert-butyl N-[(4-methylpyridin-2-yl)methyl]carbamate,
2-(N-Boc-aminomethyl)-4-methylpyridine, 95% - 1G 1g,
|
| Complexity | 236 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.137g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.288g/mol |
| Monoisotopic Mass | 222.137g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 51.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number