| CAS Number | 924898-12-4 |
| Catalog Number | AG00IH65(AGN-PC-0ON86P) |
| Chemical Name | 2-Pyrrolidinone, 1-amino-, 4-methylbenzenesulfonate (1:1) |
| IUPAC Name | 1-aminopyrrolidin-2-one;4-methylbenzenesulfonic acid |
| InChI | InChI=1S/C7H8O3S.C4H8N2O/c1-6-2-4-7(5-3-6)11(8,9)10;5-6-3-1-2-4(6)7/h2-5H,1H3,(H,8,9,10);1-3,5H2 |
| InChI Key | XMURWDRIEUJHJF-UHFFFAOYSA-N |
| MDL Number | MFCD27957343 |
| Molecular Formula | C11H16N2O4S |
| Molecular Weight | 272.3207 |
| SMILES | O=C1N(N)CCC1.O=S(C2=CC=C(C)C=C2)(O)=O |
| Synonyms | 1-(amino)-2-pyrollidinone p-toluenesulfonate,
924898-12-4,
SCHEMBL18114837,
KS-00002BCV,
AKOS022168258,
SS-4761,
OR310546,
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| Complexity | 298 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.083g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.319g/mol |
| Monoisotopic Mass | 272.083g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 109A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number