| CAS Number | 1220021-12-4 |
| Catalog Number | AG01C4KN(AGN-PC-0WC459) |
| Chemical Name | 4-(Pyrrolidin-3-ylmethyl)piperazin-2-one dihydrochloride |
| IUPAC Name | 4-(pyrrolidin-3-ylmethyl)piperazin-2-one;dihydrochloride |
| InChI | InChI=1S/C9H17N3O.2ClH/c13-9-7-12(4-3-11-9)6-8-1-2-10-5-8;;/h8,10H,1-7H2,(H,11,13);2*1H |
| InChI Key | YZFULKNJEGPAII-UHFFFAOYSA-N |
| MDL Number | MFCD13561704 |
| Molecular Formula | C9H19Cl2N3O |
| Molecular Weight | 256.1727 |
| SMILES | Cl.Cl.O=C1NCCN(CC2CNCC2)C1 |
| Synonyms | 1220021-12-4,
4-(pyrrolidin-3-ylmethyl)piperazin-2-one dihydrochloride,
4-(3-Pyrrolidinylmethyl)-2-piperazinonedihydrochloride,
4-(3-pyrrolidinylmethyl)-2-piperazinone dihydrochloride,
CTK7H6530,
1938AD,
AKOS015845663,
TR-068532,
4-(3-Pyrrolidinylmethyl)-2-piperazinone di hydrochloride,
Z2105224222,
4-[(pyrrolidin-3-yl)methyl]piperazin-2-one dihydrochloride,
C9H19Cl2N3O,
|
| Complexity | 195 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.091g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.171g/mol |
| Monoisotopic Mass | 255.091g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 44.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number