| CAS Number | 1219112-94-3 |
| Catalog Number | AG009YYF(AGN-PC-0GXDRJ) |
| Chemical Name | 4-(BOC-Amino)picoline |
| IUPAC Name | tert-butyl N-(2-methylpyridin-4-yl)carbamate |
| InChI | InChI=1S/C11H16N2O2/c1-8-7-9(5-6-12-8)13-10(14)15-11(2,3)4/h5-7H,1-4H3,(H,12,13,14) |
| InChI Key | KWYQHZAEXXBEGZ-UHFFFAOYSA-N |
| MDL Number | MFCD15475057 |
| Molecular Formula | C11H16N2O2 |
| Molecular Weight | 208.2569 |
| SMILES | CC1=NC=CC(NC(OC(C)(C)C)=O)=C1 |
| Synonyms | tert-butyl N-(2-methylpyridin-4-yl)carbamate,
1219112-94-3,
4-(BOC-Amino)picoline,
tert-butyl 2-methylpyridin-4-ylcarbamate,
SCHEMBL16055308,
KWYQHZAEXXBEGZ-UHFFFAOYSA-N,
ZINC75290439,
AKOS015966696,
NE41378,
SC-29248,
J3.607.191E,
N-(2-Methyl-4-pyridyl)carbamic acid tert-butyl ester,
(2-methyl-pyridin-4-yl)-carbamic acid tert-butyl ester,
(2-methylpyridin-4-yl)carbamic acid tert-butyl ester,
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| Complexity | 223 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.261g/mol |
| Monoisotopic Mass | 208.121g/mol |
| Rotatable Bond Count | 3 |
| 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
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Certificate of Analysis
Lot Number