| CAS Number | 1181458-99-0 |
| Catalog Number | AG019VES(AGN-PC-0WOSMH) |
| Chemical Name | 1-(3-Aminopropyl)-5-bromo-1,2-dihydropyridin-2-one hydrochloride |
| IUPAC Name | 1-(3-aminopropyl)-5-bromopyridin-2-one;hydrochloride |
| InChI | InChI=1S/C8H11BrN2O.ClH/c9-7-2-3-8(12)11(6-7)5-1-4-10;/h2-3,6H,1,4-5,10H2;1H |
| InChI Key | SNBJOKNBOJQPRP-UHFFFAOYSA-N |
| MDL Number | MFCD12197145 |
| Molecular Formula | C8H12BrClN2O |
| Molecular Weight | 267.5507 |
| SMILES | Cl.NCCCN1C(C=CC(=C1)Br)=O |
| Synonyms | 1-(3-aminopropyl)-5-bromo-1,2-dihydropyridin-2-one hydrochloride,
1181458-99-0,
AC1Q3DC4,
CTK7E8233,
AKOS026742557,
MCULE-6558772992,
NE61459,
EN300-45041,
Z1222283877,
|
| Complexity | 235 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.982g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.551g/mol |
| Monoisotopic Mass | 265.982g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number