| CAS Number | 1645414-72-7 |
| Catalog Number | AG01BDVG(AGN-PC-0WOQFD) |
| Chemical Name | [(5-bromothiophen-2-yl)methyl](2-methoxyethyl)amine hydrochloride |
| IUPAC Name | N-[(5-bromothiophen-2-yl)methyl]-2-methoxyethanamine;hydrochloride |
| InChI | InChI=1S/C8H12BrNOS.ClH/c1-11-5-4-10-6-7-2-3-8(9)12-7;/h2-3,10H,4-6H2,1H3;1H |
| InChI Key | KRJMVKOGUKBEDM-UHFFFAOYSA-N |
| MDL Number | MFCD28063925 |
| Molecular Formula | C8H13BrClNOS |
| Molecular Weight | 286.6169 |
| SMILES | Cl.COCCNCC1SC(Br)=CC=1 |
| Synonyms | [(5-bromothiophen-2-yl)methyl](2-methoxyethyl)amine hydrochloride,
1645414-72-7,
AKOS026741010,
|
| Complexity | 126 |
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 286.612g/mol |
| Monoisotopic Mass | 284.959g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 49.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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