| CAS Number | 1193389-48-8 |
| Catalog Number | AG019WMW(AGN-PC-0WOUO4) |
| Chemical Name | 1-(But-3-yn-1-yl)piperazine dihydrochloride |
| IUPAC Name | 1-but-3-ynylpiperazine;dihydrochloride |
| InChI | InChI=1S/C8H14N2.2ClH/c1-2-3-6-10-7-4-9-5-8-10;;/h1,9H,3-8H2;2*1H |
| InChI Key | JQFCPMSJDVJDQT-UHFFFAOYSA-N |
| MDL Number | MFCD12913112 |
| Molecular Formula | C8H16Cl2N2 |
| Molecular Weight | 211.1320 |
| SMILES | Cl.Cl.C#CCCN1CCNCC1 |
| Synonyms | 1-(but-3-yn-1-yl)piperazine dihydrochloride,
EN300-52435,
1193389-48-8,
SCHEMBL14126883,
CTK5J0704,
JQFCPMSJDVJDQT-UHFFFAOYSA-N,
AKOS026743948,
MCULE-8240659278,
NE46405,
1-(but-3-ynyl)piperazine dihydrochloride,
AC1Q3A1S,
|
| Complexity | 127 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.069054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.13g/mol |
| Monoisotopic Mass | 210.069054g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 15.3Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number