| CAS Number | 1797717-71-5 |
| Catalog Number | AG01AXKD |
| Chemical Name | 5-[(piperazin-1-yl)methyl]thiophene-2-carboxylic acid dihydrochloride |
| IUPAC Name | 5-(piperazin-1-ylmethyl)thiophene-2-carboxylic acid;dihydrochloride |
| InChI | InChI=1S/C10H14N2O2S.2ClH/c13-10(14)9-2-1-8(15-9)7-12-5-3-11-4-6-12;;/h1-2,11H,3-7H2,(H,13,14);2*1H |
| InChI Key | ATSZTAVJSNXSGE-UHFFFAOYSA-N |
| MDL Number | MFCD27959468 |
| Molecular Formula | C10H16Cl2N2O2S |
| Molecular Weight | 299.2172 |
| SMILES | Cl.Cl.OC(C1SC(CN2CCNCC2)=CC=1)=O |
| Synonyms | 1797717-71-5,
5-(piperazin-1-ylmethyl)thiophene-2-carboxylic acid dihydrochloride,
MCULE-6401847221,
Z1778350520,
5-[(piperazin-1-yl)methyl]thiophene-2-carboxylic acid dihydrochloride,
|
| Complexity | 232 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 298.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 299.21g/mol |
| Monoisotopic Mass | 298.031g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 80.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number