| CAS Number | 1306606-58-5 |
| Catalog Number | AG01AIA2 |
| Chemical Name | 1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethan-1-amine hydrochloride |
| IUPAC Name | 1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine;hydrochloride |
| InChI | InChI=1S/C13H16N2OS.ClH/c1-8(14)12-9(2)15-13(17-12)10-4-6-11(16-3)7-5-10;/h4-8H,14H2,1-3H3;1H |
| InChI Key | MOPXQYJRYQCNGZ-UHFFFAOYSA-N |
| MDL Number | MFCD18838965 |
| Molecular Formula | C13H17ClN2OS |
| Molecular Weight | 284.8049 |
| SMILES | Cl.COC1=CC=C(C2SC(C(N)C)=C(C)N=2)C=C1 |
| Synonyms | 1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethan-1-amine hydrochloride,
1306606-58-5,
NE17396,
EN300-77163,
|
| Complexity | 244 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 284.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 284.802g/mol |
| Monoisotopic Mass | 284.075g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 76.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number