| CAS Number | 1909320-00-8 |
| Catalog Number | AG01C51M |
| Chemical Name | 2-[2-(butan-2-yl)-4,6-dimethylpyrimidin-5-yl]acetic acid hydrochloride |
| IUPAC Name | 2-(2-butan-2-yl-4,6-dimethylpyrimidin-5-yl)acetic acid;hydrochloride |
| InChI | InChI=1S/C12H18N2O2.ClH/c1-5-7(2)12-13-8(3)10(6-11(15)16)9(4)14-12;/h7H,5-6H2,1-4H3,(H,15,16);1H |
| InChI Key | QHKMMVKKDDWZGL-UHFFFAOYSA-N |
| MDL Number | MFCD29763268 |
| Molecular Formula | C12H19ClN2O2 |
| Molecular Weight | 258.7445 |
| SMILES | Cl.CCC(C1=NC(C)=C(CC(O)=O)C(C)=N1)C |
| Synonyms | 2-[2-(butan-2-yl)-4,6-dimethylpyrimidin-5-yl]acetic acid hydrochloride,
1909320-00-8,
Z2472860006,
|
| Complexity | 233 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.114g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.746g/mol |
| Monoisotopic Mass | 258.114g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 63.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number