| CAS Number | 1372124-90-7 |
| Catalog Number | AG00IMH7(AGN-PC-0WQUMT) |
| Chemical Name | 1,3-Diisopropylimidazolium Hydrogencarbonate (contains varying amounts of 1,3-Diisopropylimidazolium-2-carboxylate) |
| IUPAC Name | 1,3-di(propan-2-yl)imidazol-1-ium;hydrogen carbonate |
| InChI | InChI=1S/C9H17N2.CH2O3/c1-8(2)10-5-6-11(7-10)9(3)4;2-1(3)4/h5-9H,1-4H3;(H2,2,3,4)/q+1;/p-1 |
| InChI Key | URLYNIQMFSXCCU-UHFFFAOYSA-M |
| MDL Number | MFCD31618137 |
| Molecular Formula | C10H18N2O3 |
| Molecular Weight | 214.2615 |
| SMILES | C(O)([O-])=O.C(C)(C)N1C=[N+](C=C1)C(C)C |
| Synonyms | [IiPr(H)][HCO3],
D5498,
1,3-Diisopropyl-1H-imidazol-3-ium hydrogencarbonate,
1,3-Diisopropylimidazolium Hydrogencarbonate (contains varying amounts of 1,3-Diisopropylimidazolium-2-carboxylate),
1372124-90-7,
|
| Complexity | 132 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.131742g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.26g/mol |
| Monoisotopic Mass | 214.131742g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 69.2Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number