| CAS Number | 10234-77-2 |
| Catalog Number | AG008XZ9(AGN-PC-0ORG8U) |
| Chemical Name | 5-methylpyrazolidin-3-one hydrochloride |
| IUPAC Name | 5-methylpyrazolidin-3-one;hydrochloride |
| InChI | InChI=1S/C4H8N2O.ClH/c1-3-2-4(7)6-5-3;/h3,5H,2H2,1H3,(H,6,7);1H |
| InChI Key | PBQPYEWCNDAHIM-UHFFFAOYSA-N |
| MDL Number | MFCD04972561 |
| Molecular Formula | C4H9ClN2O |
| Molecular Weight | 136.5801 |
| NSC Number | 525497 |
| SMILES | Cl.CC1NNC(=O)C1 |
| Synonyms | 5-methylpyrazolidin-3-one hydrochloride,
10234-77-2,
3-Pyrazolidinone, 5-methyl-, monohydrochloride,
AC1Q39K9,
SCHEMBL3751771,
CTK6C4873,
DTXSID20585869,
NSC525497,
AKOS009102890,
MCULE-8107476665,
NE13940,
NSC-525497,
EN300-25728,
5-Methylpyrazolidin-3-one--hydrogen chloride (1/1),
Z220383532,
|
| Complexity | 91.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 136.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 136.579g/mol |
| Monoisotopic Mass | 136.04g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 41.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number