| CAS Number | 111781-53-4 |
| Catalog Number | AG008ZI4(AGN-PC-0KUCPS) |
| Chemical Name | 3-(DIMETHYLAMINO)-1-(2-PYRAZINYL)-2-PROPEN-1-ONE |
| IUPAC Name | 3-(dimethylamino)-1-pyrazin-2-ylprop-2-en-1-one |
| InChI | InChI=1S/C9H11N3O/c1-12(2)6-3-9(13)8-7-10-4-5-11-8/h3-7H,1-2H3 |
| InChI Key | CLHUZMQFALLXDS-UHFFFAOYSA-N |
| MDL Number | MFCD02325230 |
| Molecular Formula | C9H11N3O |
| Molecular Weight | 177.2031 |
| SMILES | CN(C)C=CC(=O)C1=CN=CC=N1 |
| Synonyms | 3-(Dimethylamino)-1-(pyrazin-2-yl)prop-2-en-1-one,
111781-53-4,
AC1MPGS6,
CTK4A7510,
DTXSID60392453,
CLHUZMQFALLXDS-UHFFFAOYSA-N,
KS-00001W2U,
ANW-55850,
AKOS017404940,
MCULE-2699148071,
FT-0680329,
3-dimethylamino-1-(2-pyrazinyl)-2-propen-1-one,
3-(dimethylamino)-1-pyrazin-2-ylprop-2-en-1-one,
3-(dimethylamino)-1-(2-pyrazinyl)-2-propen-1-one,
CID3435019,
3-dimethylamino-1-pyrazin-2-yl-prop-2-en-1-one,
|
| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.207g/mol |
| Monoisotopic Mass | 177.09g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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