| CAS Number | 857546-95-3 |
| Catalog Number | AG01A456(AGN-PC-0WOUEA) |
| Chemical Name | 1-(2,5-dimethylthiophen-3-yl)ethan-1-amine hydrochloride |
| IUPAC Name | 1-(2,5-dimethylthiophen-3-yl)ethanamine;hydrochloride |
| InChI | InChI=1S/C8H13NS.ClH/c1-5-4-8(6(2)9)7(3)10-5;/h4,6H,9H2,1-3H3;1H |
| InChI Key | IAVRVOSZJASYLD-UHFFFAOYSA-N |
| MDL Number | MFCD23144236 |
| Molecular Formula | C8H14ClNS |
| Molecular Weight | 191.7215 |
| SMILES | Cl.CC(C1=C(C)SC(C)=C1)N |
| Synonyms | 1-(2,5-dimethylthiophen-3-yl)ethan-1-amine hydrochloride,
857546-95-3,
AKOS026743753,
NE17055,
|
| Complexity | 116 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.717g/mol |
| Monoisotopic Mass | 191.054g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number