| CAS Number | 1609401-23-1 |
| Catalog Number | AG00J2XU(AGN-PC-0WB6LU) |
| Chemical Name | 1-Isopropylpyrrolidin-3-one hydrochloride |
| IUPAC Name | 1-propan-2-ylpyrrolidin-3-one;hydrochloride |
| InChI | InChI=1S/C7H13NO.ClH/c1-6(2)8-4-3-7(9)5-8;/h6H,3-5H2,1-2H3;1H |
| InChI Key | XVPWTCPMVAFQPR-UHFFFAOYSA-N |
| MDL Number | MFCD28024805 |
| Molecular Formula | C7H14ClNO |
| Molecular Weight | 163.6452 |
| SMILES | N1(C(C)C)CCC(=O)C1.Cl |
| Synonyms | 1-Isopropyl-3-pyrrolidinone hydrochloride,
1609401-23-1,
ZX-CM010877,
MFCD28024805,
AKOS027426635,
1-Isopropylpyrrolidin-3-one hydrochloride,
|
| Complexity | 120 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 163.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 163.645g/mol |
| Monoisotopic Mass | 163.076g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number