| CAS Number | 1158410-33-3 |
| Catalog Number | AG00J1TO |
| Chemical Name | 1-(2-methyl-1H-imidazol-1-yl)acetone hydrochloride |
| IUPAC Name | 1-(2-methylimidazol-1-yl)propan-2-one;hydrochloride |
| InChI | InChI=1S/C7H10N2O.ClH/c1-6(10)5-9-4-3-8-7(9)2;/h3-4H,5H2,1-2H3;1H |
| InChI Key | JAWONSGXDADYFJ-UHFFFAOYSA-N |
| MDL Number | MFCD15176469 |
| Molecular Formula | C7H11ClN2O |
| Molecular Weight | 174.628 |
| SMILES | N1(CC(C)=O)C=CN=C1C.Cl |
| Synonyms | 1158410-33-3,
1-(2-METHYL-1H-IMIDAZOL-1-YL)ACETONE HYDROCHLORIDE,
1-(2-Methyl-1H-imidazol-1-yl)propan-2-one hydrochloride,
ZX-CM006282,
MFCD15176469,
1-(2-Methyl-1H-1-imidazolyl)acetone hydrochloride,
4027991-25G,
31964-03-1,
|
| Complexity | 136 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 174.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 174.628g/mol |
| Monoisotopic Mass | 174.056g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 34.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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