| CAS Number | 1240526-74-2 |
| Catalog Number | AG01A7JR |
| Chemical Name | 3-(1,2-dimethyl-1H-imidazole-4-sulfonamido)propanoic acid |
| IUPAC Name | 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propanoic acid |
| InChI | InChI=1S/C8H13N3O4S/c1-6-10-7(5-11(6)2)16(14,15)9-4-3-8(12)13/h5,9H,3-4H2,1-2H3,(H,12,13) |
| InChI Key | OQKWFFHPGWAWHW-UHFFFAOYSA-N |
| MDL Number | MFCD16547514 |
| Molecular Formula | C8H13N3O4S |
| Molecular Weight | 247.2715 |
| SMILES | CC1N(C)C=C(S(NCCC(O)=O)(=O)=O)N=1 |
| Synonyms | 3-(1,2-dimethyl-1H-imidazole-4-sulfonamido)propanoic acid,
1240526-74-2,
AC1Q3YUZ,
ZINC47843705,
AKOS011170969,
MCULE-4193974891,
NE39856,
EN300-58950,
Z992717350,
|
| Complexity | 351 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.269g/mol |
| Monoisotopic Mass | 247.063g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 110A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number