| CAS Number | 1158269-27-2 |
| Catalog Number | AG00J1VM(AGN-PC-0WBCU2) |
| Chemical Name | 1-(2-chloroethyl)-2-ethyl-1H-imidazole hydrochloride |
| IUPAC Name | 1-(2-chloroethyl)-2-ethylimidazole;hydrochloride |
| InChI | InChI=1S/C7H11ClN2.ClH/c1-2-7-9-4-6-10(7)5-3-8;/h4,6H,2-3,5H2,1H3;1H |
| InChI Key | VOFQBWCNJRXGPN-UHFFFAOYSA-N |
| MDL Number | MFCD09864602 |
| Molecular Formula | C7H12Cl2N2 |
| Molecular Weight | 195.0896 |
| SMILES | N1(CCCl)C=CN=C1CC.Cl |
| Synonyms | 1-(2-chloroethyl)-2-ethyl-1H-imidazole hydrochloride,
1158269-27-2,
CTK6H8408,
ZX-CM006562,
MFCD09864602,
AKOS015846042,
TR-057789,
1-(2-chloroethyl)-2-ethylimidazole hydrochloride,
1-(2-Chloroethyl)-2-ethyl-1H-imidazole hydrochloride, AldrichCPR,
112258-51-2,
N/A,
|
| Complexity | 97.6 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.087g/mol |
| Monoisotopic Mass | 194.038g/mol |
| Rotatable Bond Count | 3 |
| 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