| CAS Number | 1259056-74-0 |
| Catalog Number | AG00HIR4(AGN-PC-0WRACU) |
| Chemical Name | tert-Butyl N-[(6-methylpyridin-3-yl)methyl]carbamate |
| IUPAC Name | tert-butyl N-[(6-methylpyridin-3-yl)methyl]carbamate |
| InChI | InChI=1S/C12H18N2O2/c1-9-5-6-10(7-13-9)8-14-11(15)16-12(2,3)4/h5-7H,8H2,1-4H3,(H,14,15) |
| InChI Key | QIYSAVKHVPIBIO-UHFFFAOYSA-N |
| MDL Number | MFCD18089154 |
| Molecular Formula | C12H18N2O2 |
| Molecular Weight | 222.2835 |
| SMILES | O=C(OC(C)(C)C)NCc1ccc(nc1)C |
| Synonyms | 1259056-74-0,
tert-Butyl ((6-methylpyridin-3-yl)methyl)carbamate,
SCHEMBL1632519,
AKOS013100973,
tert-butyl N-[(6-methylpyridin-3-yl)methyl]carbamate,
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| 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 |
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Certificate of Analysis
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