| CAS Number | 210428-41-4 |
| Catalog Number | AG019ZDJ(AGN-PC-0QXAQG) |
| Chemical Name | 2-(5-Chloro-1,3-benzothiazol-2-yl)ethan-1-amine hydrochloride |
| IUPAC Name | 2-(5-chloro-1,3-benzothiazol-2-yl)ethanamine;hydrochloride |
| InChI | InChI=1S/C9H9ClN2S.ClH/c10-6-1-2-8-7(5-6)12-9(13-8)3-4-11;/h1-2,5H,3-4,11H2;1H |
| InChI Key | JJPBWCIHXKXTKF-UHFFFAOYSA-N |
| MDL Number | MFCD22369911 |
| Molecular Formula | C9H10Cl2N2S |
| Molecular Weight | 249.1601 |
| SMILES | Cl.NCCC1SC2=C(C=C(C=C2)Cl)N=1 |
| Synonyms | 2-(5-chloro-1,3-benzothiazol-2-yl)ethan-1-amine hydrochloride,
210428-41-4,
AKOS026742506,
NE31777,
|
| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.994g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.153g/mol |
| Monoisotopic Mass | 247.994g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 67.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number