| CAS Number | 433249-94-6 |
| Catalog Number | AG01E4HF(AGN-PC-0WP22L) |
| Chemical Name | 3-[(2,5-Dimethylphenyl)amino]-1-phenyl-2-propen-1-one |
| IUPAC Name | (E)-3-(2,5-dimethylanilino)-1-phenylprop-2-en-1-one |
| InChI | InChI=1S/C17H17NO/c1-13-8-9-14(2)16(12-13)18-11-10-17(19)15-6-4-3-5-7-15/h3-12,18H,1-2H3/b11-10+ |
| InChI Key | SARYOFMRLSHZFE-ZHACJKMWSA-N |
| MDL Number | MFCD02911570 |
| Molecular Formula | C17H17NO |
| Molecular Weight | 251.3230 |
| SMILES | N(C1C=C(C)C=CC=1C)/C=C/C(C1C=CC=CC=1)=O |
| Synonyms | 433249-94-6,
3-[(2,5-Dimethylphenyl)amino]-1-phenyl-2-propen-1-one,
AC1M4Y66,
SCHEMBL15614836,
ZINC2994159,
AKOS027470222,
(E)-3-(2,5-dimethylanilino)-1-phenylprop-2-en-1-one,
SARYOFMRLSHZFE-ZHACJKMWSA-N,
ZINC02994159,
CID2291556,
|
| Complexity | 317 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 251.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.329g/mol |
| Monoisotopic Mass | 251.131g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number