| CAS Number | 1251216-05-3 |
| Catalog Number | AG01BDNS(AGN-PC-0WOWCB) |
| Chemical Name | [(3-bromothiophen-2-yl)methyl](2-methoxyethyl)amine |
| IUPAC Name | N-[(3-bromothiophen-2-yl)methyl]-2-methoxyethanamine |
| InChI | InChI=1S/C8H12BrNOS/c1-11-4-3-10-6-8-7(9)2-5-12-8/h2,5,10H,3-4,6H2,1H3 |
| InChI Key | QIKIXXJYNGUJGA-UHFFFAOYSA-N |
| MDL Number | MFCD16093847 |
| Molecular Formula | C8H12BrNOS |
| Molecular Weight | 250.1560 |
| SMILES | COCCNCC1=C(Br)C=CS1 |
| Synonyms | [(3-bromothiophen-2-yl)methyl](2-methoxyethyl)amine,
1251216-05-3,
ZINC43674531,
AKOS010996954,
NE40895,
|
| Complexity | 126 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.982g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.154g/mol |
| Monoisotopic Mass | 248.982g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 49.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number