| CAS Number | 1203499-45-9 |
| Catalog Number | AG0090ZT(AGN-PC-0WBQJB) |
| Chemical Name | N-(3-(3-Hydroxyprop-1-ynyl)pyridin-2-yl)pivalamide |
| IUPAC Name | N-[3-(3-hydroxyprop-1-ynyl)pyridin-2-yl]-2,2-dimethylpropanamide |
| InChI | InChI=1S/C13H16N2O2/c1-13(2,3)12(17)15-11-10(7-5-9-16)6-4-8-14-11/h4,6,8,16H,9H2,1-3H3,(H,14,15,17) |
| InChI Key | UPGMOHGJJCWVEC-UHFFFAOYSA-N |
| MDL Number | MFCD13563042 |
| Molecular Formula | C13H16N2O2 |
| Molecular Weight | 232.2783 |
| SMILES | OCC#Cc1cccnc1NC(=O)C(C)(C)C |
| Synonyms | N-(3-(3-Hydroxyprop-1-ynyl)pyridin-2-yl)pivalamide,
1203499-45-9,
N-(3-(3-Hydroxyprop-1-yn-1-yl)pyridin-2-yl)pivalamide,
AC1Q1LQ1,
CTK8A1011,
0915AD,
MFCD13563042,
ZINC39961285,
AKOS015856478,
AJ-101507,
N-(3-(3-Hydroxyprop-1-ynyl)pyridin-2-yl)pivalamide, AldrichCPR,
N-[3-(3-hydroxyprop-1-yn-1-yl)pyridin-2-yl]-2,2-dimethylpropanamide,
C13H16N2O2,
|
| Complexity | 332 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.283g/mol |
| Monoisotopic Mass | 232.121g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 62.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number