| CAS Number | 1803611-89-3 |
| Catalog Number | AG01B8S2 |
| Chemical Name | N-(2-{[(5-bromothiophen-2-yl)methyl]amino}ethyl)acetamide hydrochloride |
| IUPAC Name | N-[2-[(5-bromothiophen-2-yl)methylamino]ethyl]acetamide;hydrochloride |
| InChI | InChI=1S/C9H13BrN2OS.ClH/c1-7(13)12-5-4-11-6-8-2-3-9(10)14-8;/h2-3,11H,4-6H2,1H3,(H,12,13);1H |
| InChI Key | NFWDFOQEHBYCDL-UHFFFAOYSA-N |
| MDL Number | MFCD28246600 |
| Molecular Formula | C9H14BrClN2OS |
| Molecular Weight | 313.6423 |
| SMILES | Cl.CC(NCCNCC1SC(Br)=CC=1)=O |
| Synonyms | N-(2-{[(5-bromothiophen-2-yl)methyl]amino}ethyl)acetamide hydrochloride,
1803611-89-3,
|
| Complexity | 192 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 311.97g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 313.638g/mol |
| Monoisotopic Mass | 311.97g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 69.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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