| CAS Number | 1989671-62-6 |
| Catalog Number | AG01B6EB |
| Chemical Name | Lithium(1+) ion 4-(4-methylpiperazin-1-yl)but-2-ynoate |
| IUPAC Name | lithium;4-(4-methylpiperazin-1-yl)but-2-ynoate |
| InChI | InChI=1S/C9H14N2O2.Li/c1-10-5-7-11(8-6-10)4-2-3-9(12)13;/h4-8H2,1H3,(H,12,13);/q;+1/p-1 |
| InChI Key | FEOBDZJOGWUENF-UHFFFAOYSA-M |
| MDL Number | MFCD30342813 |
| Molecular Formula | C9H13LiN2O2 |
| Molecular Weight | 188.1527 |
| SMILES | [Li+].CN1CCN(CC#CC([O-])=O)CC1 |
| Synonyms | lithium(1+) ion 4-(4-methylpiperazin-1-yl)but-2-ynoate,
1989671-62-6,
|
| Complexity | 248 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.114g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.155g/mol |
| Monoisotopic Mass | 188.114g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number