| CAS Number | 1607250-69-0 |
| Catalog Number | AG01AFFM |
| Chemical Name | 2-[4-(1-aminoethyl)phenyl]-1lambda6,2-thiazolidine-1,1-dione hydrochloride |
| IUPAC Name | 1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanamine;hydrochloride |
| InChI | InChI=1S/C11H16N2O2S.ClH/c1-9(12)10-3-5-11(6-4-10)13-7-2-8-16(13,14)15;/h3-6,9H,2,7-8,12H2,1H3;1H |
| InChI Key | PHFYIDSXQMHOBS-UHFFFAOYSA-N |
| MDL Number | MFCD27500840 |
| Molecular Formula | C11H17ClN2O2S |
| Molecular Weight | 276.7829 |
| SMILES | Cl.CC(C1=CC=C(N2S(=O)(=O)CCC2)C=C1)N |
| Synonyms | 1607250-69-0,
AKOS030639995,
MCULE-2748606738,
Z1723849205,
2-[4-(1-aminoethyl)phenyl]-1,2-thiazolidine-1,1-dione hydrochloride,
2-[4-(1-aminoethyl)phenyl]-1lambda,2-thiazolidine-1,1-dione hydrochloride,
2-[4-(1-aminoethyl)phenyl]-1lambda6,2-thiazolidine-1,1-dione hydrochloride,
|
| Complexity | 328 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 276.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 276.779g/mol |
| Monoisotopic Mass | 276.07g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 71.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number