| CAS Number | 1394042-17-1 |
| Catalog Number | AG01A07T(AGN-PC-0WOUEY) |
| Chemical Name | 3-Oxo-3-(piperazin-1-yl)propanenitrile hydrochloride |
| IUPAC Name | 3-oxo-3-piperazin-1-ylpropanenitrile;hydrochloride |
| InChI | InChI=1S/C7H11N3O.ClH/c8-2-1-7(11)10-5-3-9-4-6-10;/h9H,1,3-6H2;1H |
| InChI Key | CFNLENITWHTTII-UHFFFAOYSA-N |
| MDL Number | MFCD22378654 |
| Molecular Formula | C7H12ClN3O |
| Molecular Weight | 189.6427 |
| SMILES | Cl.O=C(CC#N)N1CCNCC1 |
| Synonyms | 3-oxo-3-(piperazin-1-yl)propanenitrile hydrochloride,
1394042-17-1,
AKOS026743768,
MCULE-2389255651,
NE59403,
|
| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.643g/mol |
| Monoisotopic Mass | 189.067g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 56.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number