| CAS Number | 138716-22-0 |
| Catalog Number | AG001928(AGN-PC-0JVOUF) |
| Chemical Name | 1-[1,1'-Biphenyl]-4-yl-3-(dimethylamino)-2-propen-1-one |
| IUPAC Name | 3-(dimethylamino)-1-(4-phenylphenyl)prop-2-en-1-one |
| InChI | InChI=1S/C17H17NO/c1-18(2)13-12-17(19)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-13H,1-2H3 |
| InChI Key | VOZCAYLHVNCRJS-UHFFFAOYSA-N |
| MDL Number | MFCD00172114 |
| Molecular Formula | C17H17NO |
| Molecular Weight | 251.3230 |
| SMILES | O=C(C2(=CC=C(C1(=CC=CC=C1))C=C2))C=CN(C)C |
| Synonyms | 1-([1,1'-Biphenyl]-4-yl)-3-(dimethylamino)prop-2-en-1-one,
138716-22-0,
2-Propen-1-one,1-[1,1'-biphenyl]-4-yl-3-(dimethylamino)-,
AC1LEKD0,
ACMC-1C2OT,
CTK4C1372,
KS-00001SL8,
ANW-55699,
AKOS017382111,
MCULE-2200777802,
FT-0643292,
3-(dimethylamino)-1-(4-phenylphenyl)prop-2-en-1-one,
1-[1,1-biphenyl]-4-yl-3-(dimethylamino)-2-propen-1-one,
CID737448,
ZINC00167548,
1-[1,1'-biphenyl]-4-yl-3-(dimethylamino)-2-propen-1-one,
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| Complexity | 307 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.329g/mol |
| Monoisotopic Mass | 251.131g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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