| CAS Number | 1306676-63-0 |
| Catalog Number | AG01B9ST |
| Chemical Name | [1-(4-aminobenzenesulfonyl)pyrrolidin-2-yl]methanol |
| IUPAC Name | [1-(4-aminophenyl)sulfonylpyrrolidin-2-yl]methanol |
| InChI | InChI=1S/C11H16N2O3S/c12-9-3-5-11(6-4-9)17(15,16)13-7-1-2-10(13)8-14/h3-6,10,14H,1-2,7-8,12H2 |
| InChI Key | LXFICKOAUSAPON-UHFFFAOYSA-N |
| MDL Number | MFCD11043095 |
| Molecular Formula | C11H16N2O3S |
| Molecular Weight | 256.3213 |
| SMILES | NC1=CC=C(S(N2C(CO)CCC2)(=O)=O)C=C1 |
| Synonyms | [1-(4-aminobenzenesulfonyl)pyrrolidin-2-yl]methanol,
1306676-63-0,
AKOS010671518,
Z1673621807,
|
| Complexity | 344 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.088g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.32g/mol |
| Monoisotopic Mass | 256.088g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 92A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
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Certificate of Analysis
Lot Number