| CAS Number | 1803611-56-4 |
| Catalog Number | AG01BHJS(AGN-PC-0WOTVU) |
| Chemical Name | 2-{[1-(5-bromothiophen-2-yl)ethyl]amino}ethan-1-ol hydrochloride |
| IUPAC Name | 2-[1-(5-bromothiophen-2-yl)ethylamino]ethanol;hydrochloride |
| InChI | InChI=1S/C8H12BrNOS.ClH/c1-6(10-4-5-11)7-2-3-8(9)12-7;/h2-3,6,10-11H,4-5H2,1H3;1H |
| InChI Key | PPYSMUNBWAKCOQ-UHFFFAOYSA-N |
| MDL Number | MFCD28145291 |
| Molecular Formula | C8H13BrClNOS |
| Molecular Weight | 286.6169 |
| SMILES | Cl.CC(C1SC(Br)=CC=1)NCCO |
| Synonyms | 2-{[1-(5-bromothiophen-2-yl)ethyl]amino}ethan-1-ol hydrochloride,
1803611-56-4,
AKOS026743421,
|
| Complexity | 136 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 284.959g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 286.612g/mol |
| Monoisotopic Mass | 284.959g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 60.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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