| CAS Number | 57055-96-6 |
| Catalog Number | AG01DL9D |
| Chemical Name | 4-[[4-(4-morpholinyl)butyl]thio]-phenol hcl |
| IUPAC Name | 4-(4-morpholin-4-ylbutylsulfanyl)phenol;hydrochloride |
| InChI | InChI=1S/C14H21NO2S.ClH/c16-13-3-5-14(6-4-13)18-12-2-1-7-15-8-10-17-11-9-15;/h3-6,16H,1-2,7-12H2;1H |
| InChI Key | RBDDFNHKZVBRGJ-UHFFFAOYSA-N |
| MDL Number | MFCD00433864 |
| Molecular Formula | C14H22ClNO2S |
| Molecular Weight | 303.848 |
| SMILES | Cl.OC1=CC=C(SCCCCN2CCOCC2)C=C1 |
| Synonyms | 4-[[4-(4-morpholinyl)butyl]thio]-phenol hcl,
57055-96-6,
AS-53606,
|
| Complexity | 214 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 303.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 303.845g/mol |
| Monoisotopic Mass | 303.106g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 58A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number