| CAS Number | 226930-89-8 |
| Catalog Number | AG00J1J4 |
| Chemical Name | 5-(chloromethyl)-1-isobutyl-1H-imidazole hydrochloride |
| IUPAC Name | 5-(chloromethyl)-1-(2-methylpropyl)imidazole;hydrochloride |
| InChI | InChI=1S/C8H13ClN2.ClH/c1-7(2)5-11-6-10-4-8(11)3-9;/h4,6-7H,3,5H2,1-2H3;1H |
| InChI Key | NRAKNQNFNBGTGQ-UHFFFAOYSA-N |
| MDL Number | MFCD13186220 |
| Molecular Formula | C8H14Cl2N2 |
| Molecular Weight | 209.1162 |
| SMILES | N1(CC(C)C)C=NC=C1CCl.Cl |
| Synonyms | 5-(Chloromethyl)-1-isobutyl-1H-imidazole hydrochloride,
226930-89-8,
SCHEMBL860676,
NRAKNQNFNBGTGQ-UHFFFAOYSA-N,
ZX-CM004699,
MFCD13186220,
5-chloromethyl-1-isobutylimidazole hydrochloride,
5-(chloromethyl)-1-(2-methylpropyl)-1H-imidazole hydrochloride,
5-(Chloromethyl)-1-isobutyl-1H-imidazole hydrochloride, AldrichCPR,
781599-92-6,
|
| Complexity | 117 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.114g/mol |
| Monoisotopic Mass | 208.053g/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