| CAS Number | 148019-49-2 |
| Catalog Number | AG01C0DG(AGN-PC-0Q18HZ) |
| Chemical Name | 1-Methyl-3-(3-sulfopropyl)-1H-imidazol-3-ium |
| IUPAC Name | 3-(3-methylimidazol-3-ium-1-yl)propane-1-sulfonate |
| InChI | InChI=1S/C7H12N2O3S/c1-8-4-5-9(7-8)3-2-6-13(10,11)12/h4-5,7H,2-3,6H2,1H3 |
| InChI Key | NATMUPYZFJLLJZ-UHFFFAOYSA-N |
| MDL Number | MFCD30497948 |
| Molecular Formula | C7H12N2O3S |
| Molecular Weight | 204.2468 |
| SMILES | C[N+]1=CN(C=C1)CCCS(=O)(=O)[O-] |
| Synonyms | SCHEMBL4370508,
1-methyl-3-(3-sulfopropyl)-1H-imidazol-3-ium,
3-(1-methylimidazolium-3-yl)propane-1-sulfonate,
1-(3-Sulfonatopropyl)-3-methyl-1H-imidazole-3-ium,
148019-49-2,
CID10465511,
3-(3-methylimidazol-1-yl)propane-1-sulfonate,
|
| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.057g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.244g/mol |
| Monoisotopic Mass | 204.057g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 74.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number