| CAS Number | 1192472-59-5 |
| Catalog Number | AG01FSA5(AGN-PC-3H602A) |
| Chemical Name | tert-Butyl (5-ethynylpyridin-3-yl)carbamate |
| IUPAC Name | tert-butyl N-(5-ethynylpyridin-3-yl)carbamate |
| InChI | InChI=1S/C12H14N2O2/c1-5-9-6-10(8-13-7-9)14-11(15)16-12(2,3)4/h1,6-8H,2-4H3,(H,14,15) |
| InChI Key | DPNIQHZDUOWFHM-UHFFFAOYSA-N |
| MDL Number | MFCD13189734 |
| Molecular Formula | C12H14N2O2 |
| Molecular Weight | 218.2518 |
| SMILES | O=C(OC(C)(C)C)NC1=CC(C#C)=CN=C1 |
| Synonyms | tert-butyl (5-ethynylpyridin-3-yl)carbamate,
1192472-59-5,
TERT-BUTYL 5-ETHYNYLPYRIDIN-3-YLCARBAMATE,
SCHEMBL12209857,
DPNIQHZDUOWFHM-UHFFFAOYSA-N,
ZINC95761547,
AB69013,
FCH1624860,
AK502283,
AX8269686,
|
| Complexity | 298 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.105528g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.25g/mol |
| Monoisotopic Mass | 218.105528g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 51.2Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number