| CAS Number | 1258650-79-1 |
| Catalog Number | AG01AB20 |
| Chemical Name | 1-{4-[(2-methoxyethyl)sulfanyl]phenyl}ethan-1-amine hydrochloride |
| IUPAC Name | 1-[4-(2-methoxyethylsulfanyl)phenyl]ethanamine;hydrochloride |
| InChI | InChI=1S/C11H17NOS.ClH/c1-9(12)10-3-5-11(6-4-10)14-8-7-13-2;/h3-6,9H,7-8,12H2,1-2H3;1H |
| InChI Key | VZYZYXIWRIALLO-UHFFFAOYSA-N |
| MDL Number | MFCD17977033 |
| Molecular Formula | C11H18ClNOS |
| Molecular Weight | 247.7847 |
| SMILES | Cl.COCCSC1=CC=C(C(N)C)C=C1 |
| Synonyms | 1-{4-[(2-methoxyethyl)sulfanyl]phenyl}ethan-1-amine hydrochloride,
1258650-79-1,
AC1Q3C5N,
MCULE-4567446917,
NE43212,
EN300-70233,
Z1263714128,
|
| Complexity | 146 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.781g/mol |
| Monoisotopic Mass | 247.08g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 60.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number