| CAS Number | 1609400-37-4 |
| Catalog Number | AG00J3UD |
| Chemical Name | 2-({2-[(4-chlorophenyl)thio]ethyl}amino)ethanol hydrochloride |
| IUPAC Name | 2-[2-(4-chlorophenyl)sulfanylethylamino]ethanol;hydrochloride |
| InChI | InChI=1S/C10H14ClNOS.ClH/c11-9-1-3-10(4-2-9)14-8-6-12-5-7-13;/h1-4,12-13H,5-8H2;1H |
| InChI Key | PLQHXBRNESKBDJ-UHFFFAOYSA-N |
| MDL Number | MFCD13194055 |
| Molecular Formula | C10H15Cl2NOS |
| Molecular Weight | 268.2032 |
| SMILES | OCCNCCSc1ccc(cc1)Cl.Cl |
| Synonyms | 2-({2-[(4-Chlorophenyl)thio]ethyl}amino)ethanol hydrochloride,
1609400-37-4,
ZX-CM017154,
MFCD13194055,
434312-01-3,
|
| Complexity | 140 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.196g/mol |
| Monoisotopic Mass | 267.025g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number