| CAS Number | 1700655-64-6 |
| Catalog Number | AG01E2PA(AGN-PC-0WP1AI) |
| Chemical Name | 4-(piperazin-1-yl)-1-benzothiophene-2-carboxylic acid hydrochloride |
| IUPAC Name | 4-piperazin-1-yl-1-benzothiophene-2-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C13H14N2O2S.ClH/c16-13(17)12-8-9-10(2-1-3-11(9)18-12)15-6-4-14-5-7-15;/h1-3,8,14H,4-7H2,(H,16,17);1H |
| InChI Key | ZZAIYAXTRXKSDE-UHFFFAOYSA-N |
| MDL Number | MFCD30724095 |
| Molecular Formula | C13H15ClN2O2S |
| Molecular Weight | 298.7884 |
| SMILES | Cl.OC(C1SC2=C(C(N3CCNCC3)=CC=C2)C=1)=O |
| Synonyms | 4-(piperazin-1-yl)benzo[b]thiophene-2-carboxylic acid hcl,
SCHEMBL17996835,
ZZAIYAXTRXKSDE-UHFFFAOYSA-N,
AKOS034030109,
AS-44107,
Z2786036009,
4-(piperazin-1-yl)-1-benzothiophene-2-carboxylic acid hydrochloride,
4-(piperazin-1-yl)benzo[b]thiophene-2-carboxylic acid hydrochloride,
1700655-64-6,
|
| Complexity | 320 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 298.054277g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 298.79g/mol |
| Monoisotopic Mass | 298.054277g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 80.8Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number