| CAS Number | 1044707-17-6 |
| Catalog Number | AG01A92Y |
| Chemical Name | 2-(Piperazin-1-yl)acetonitrile dihydrochloride |
| IUPAC Name | 2-piperazin-1-ylacetonitrile;dihydrochloride |
| InChI | InChI=1S/C6H11N3.2ClH/c7-1-4-9-5-2-8-3-6-9;;/h8H,2-6H2;2*1H |
| InChI Key | ZLVDRNAICQRMTQ-UHFFFAOYSA-N |
| MDL Number | MFCD16547616 |
| Molecular Formula | C6H13Cl2N3 |
| Molecular Weight | 198.0935 |
| SMILES | N#CCN1CCNCC1.[H]Cl.[H]Cl |
| Synonyms | 2-(piperazin-1-yl)acetonitrile dihydrochloride,
1044707-17-6,
Piperazin-1-yl-acetonitrile dihydrochloride,
EN300-64054,
AC1Q3AMS,
SCHEMBL2009370,
AKOS025142175,
FS-6197,
MCULE-3692187335,
L-2483,
F2158-0132,
58619-56-0,
|
| Complexity | 118 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.091g/mol |
| Monoisotopic Mass | 197.049g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 39.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number