| CAS Number | 37140-96-8 |
| Catalog Number | AG01DUCY(AGN-PC-0NIUHK) |
| Chemical Name | 2-Propenamide, 2-methyl-N-(2-phenylethyl)- |
| IUPAC Name | 2-methyl-N-(2-phenylethyl)prop-2-enamide |
| InChI | InChI=1S/C12H15NO/c1-10(2)12(14)13-9-8-11-6-4-3-5-7-11/h3-7H,1,8-9H2,2H3,(H,13,14) |
| InChI Key | GTAFMQMHTPUJMR-UHFFFAOYSA-N |
| MDL Number | MFCD24550546 |
| Molecular Formula | C12H15NO |
| Molecular Weight | 189.2536 |
| SMILES | CC(=C)C(=O)NCCc1ccccc1 |
| Synonyms | 2-Propenamide, 2-methyl-N-(2-phenylethyl)-,
37140-96-8,
N-Phenethylmethacrylamide,
2-Methyl-N-(2-phenylethyl)prop-2-enamide,
SCHEMBL1027805,
CTK1B5872,
DTXSID90495623,
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| Complexity | 204 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.258g/mol |
| Monoisotopic Mass | 189.115g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
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