| CAS Number | 1311316-85-4 |
| Catalog Number | AG01AHNW |
| Chemical Name | 2-methyl-1-(prop-2-yn-1-yl)-1H-imidazole hydrochloride |
| IUPAC Name | 2-methyl-1-prop-2-ynylimidazole;hydrochloride |
| InChI | InChI=1S/C7H8N2.ClH/c1-3-5-9-6-4-8-7(9)2;/h1,4,6H,5H2,2H3;1H |
| InChI Key | XIGCELHEKQRFRI-UHFFFAOYSA-N |
| MDL Number | MFCD18815353 |
| Molecular Formula | C7H9ClN2 |
| Molecular Weight | 156.6128 |
| SMILES | Cl.CC1N(CC#C)C=CN=1 |
| Synonyms | 2-methyl-1-(prop-2-yn-1-yl)-1H-imidazole hydrochloride,
1311316-85-4,
AKOS030753700,
MCULE-7072733112,
NE41835,
EN300-75287,
Z1259155929,
|
| Complexity | 133 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 156.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 156.613g/mol |
| Monoisotopic Mass | 156.045g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number