| CAS Number | 943751-74-4 |
| Catalog Number | AG00II3R(AGN-PC-0WCKHS) |
| Chemical Name | 4-(Boc-aminomethyl)-1H-pyridin-2-one |
| IUPAC Name | tert-butyl N-[(2-oxo-1H-pyridin-4-yl)methyl]carbamate |
| InChI | InChI=1S/C11H16N2O3/c1-11(2,3)16-10(15)13-7-8-4-5-12-9(14)6-8/h4-6H,7H2,1-3H3,(H,12,14)(H,13,15) |
| InChI Key | CHIJXECSLGAEMZ-UHFFFAOYSA-N |
| MDL Number | MFCD21641992 |
| Molecular Formula | C11H16N2O3 |
| Molecular Weight | 224.2563 |
| SMILES | CC(OC(NCC1=CC(O)=NC=C1)=O)(C)C |
| Synonyms | 4-(BOC-AMINOMETHYL)-1H-PYRIDIN-2-ONE,
943751-74-4,
tert-butyl N-[(2-oxo-1,2-dihydropyridin-4-yl)methyl]carbamate,
SCHEMBL1912330,
CHIJXECSLGAEMZ-UHFFFAOYSA-N,
MFCD21641992,
ZINC95707229,
CS-0055257,
Q-2669,
tert-butyl (2-oxo-1,2-dihydropyridin-4-yl)methylcarbamate,
tert-butyl (2-oxo-1,2-dihydro-pyridin-4-ylmethyl)-carbamate,
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| Complexity | 351 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.26g/mol |
| Monoisotopic Mass | 224.116g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 67.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number