| CAS Number | 959237-37-7 |
| Catalog Number | AG00H69G(AGN-PC-0WB3DA) |
| Chemical Name | 1-{4-[(Dimethylamino)methyl]-2-thienyl}ethanone |
| IUPAC Name | 1-[4-[(dimethylamino)methyl]thiophen-2-yl]ethanone |
| InChI | InChI=1S/C9H13NOS/c1-7(11)9-4-8(6-12-9)5-10(2)3/h4,6H,5H2,1-3H3 |
| InChI Key | RNYMPSNBPLQKDF-UHFFFAOYSA-N |
| MDL Number | MFCD09864263 |
| Molecular Formula | C9H13NOS |
| Molecular Weight | 183.2706 |
| SMILES | C1(C(C)=O)=CC(=CS1)CN(C)C |
| Synonyms | 959237-37-7,
1-{4-[(DIMETHYLAMINO)METHYL]-2-THIENYL}ETHANONE,
1-(4-((Dimethylamino)methyl)thiophen-2-yl)ethanone,
1-{4-[(Dimethylamino)methyl]thiophen-2-yl}ethan-1-one,
CTK5H8347,
DTXSID80650825,
ZX-CM003226,
FCH836466,
MFCD09864263,
ZINC19088891,
AKOS006281883,
AJ-71066,
Y-5678,
4009598-25G,
1-{4-[(Dimethylamino)methyl]-2-thienyl}ethanone, AldrichCPR,
1-(4-[ ETHANONE,
1-(4-[(DIMETHYLAMINO)METHYL]-2-THIENYL)ETHANONE,
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| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.269g/mol |
| Monoisotopic Mass | 183.072g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 48.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number