| CAS Number | 1269151-95-2 |
| Catalog Number | AG01AGYH |
| Chemical Name | 5,6-Dimethyl-1-(prop-2-yn-1-yl)-1H-1,3-benzodiazole hydrochloride |
| IUPAC Name | 5,6-dimethyl-1-prop-2-ynylbenzimidazole;hydrochloride |
| InChI | InChI=1S/C12H12N2.ClH/c1-4-5-14-8-13-11-6-9(2)10(3)7-12(11)14;/h1,6-8H,5H2,2-3H3;1H |
| InChI Key | DMOZYEROBWHJDZ-UHFFFAOYSA-N |
| MDL Number | MFCD18380716 |
| Molecular Formula | C12H13ClN2 |
| Molecular Weight | 220.6980 |
| SMILES | Cl.CC1=C(C)C=C2C(N=CN2CC#C)=C1 |
| Synonyms | 5,6-dimethyl-1-(prop-2-yn-1-yl)-1H-1,3-benzodiazole hydrochloride,
EN300-73176,
AC1Q39BH,
NE46730,
1269151-95-2,
|
| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.7g/mol |
| Monoisotopic Mass | 220.077g/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