| CAS Number | 1087800-64-3 |
| Catalog Number | AG019QY1(AGN-PC-0WO261) |
| Chemical Name | 3-amino-1-propyl-6-(trifluoromethyl)-1,2-dihydropyridin-2-one |
| IUPAC Name | 3-amino-1-propyl-6-(trifluoromethyl)pyridin-2-one |
| InChI | InChI=1S/C9H11F3N2O/c1-2-5-14-7(9(10,11)12)4-3-6(13)8(14)15/h3-4H,2,5,13H2,1H3 |
| InChI Key | MPNAKLSUSSGYHH-UHFFFAOYSA-N |
| MDL Number | MFCD11099996 |
| Molecular Formula | C9H11F3N2O |
| Molecular Weight | 220.1916 |
| SMILES | CCCN1C(=O)C(N)=CC=C1C(F)(F)F |
| Synonyms | 3-amino-1-propyl-6-(trifluoromethyl)-1,2-dihydropyridin-2-one,
1087800-64-3,
3-amino-1-propyl-6-(trifluoromethyl)pyridin-2(1H)-one,
AC1Q2XSS,
CTK6E4443,
ZINC32629174,
AKOS023166509,
EN300-88602,
|
| Complexity | 331 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.195g/mol |
| Monoisotopic Mass | 220.082g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number