| CAS Number | 1290734-17-6 |
| Catalog Number | AG009X58(AGN-PC-0WA552) |
| Chemical Name | 2-(4-Cyclopropylpiperazine-1-sulfonyl)aniline |
| IUPAC Name | 2-(4-cyclopropylpiperazin-1-yl)sulfonylaniline |
| InChI | InChI=1S/C13H19N3O2S/c14-12-3-1-2-4-13(12)19(17,18)16-9-7-15(8-10-16)11-5-6-11/h1-4,11H,5-10,14H2 |
| InChI Key | OLLFWTSJMIEOSD-UHFFFAOYSA-N |
| MDL Number | MFCD16369332 |
| Molecular Formula | C13H19N3O2S |
| Molecular Weight | 281.3739 |
| SMILES | Nc1ccccc1S(=O)(=O)N1CCN(CC1)C1CC1 |
| Synonyms | 2-(4-Cyclopropylpiperazine-1-sulfonyl)aniline,
1290734-17-6,
ZINC40338214,
Z9457,
C13H19N3O2S,
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| Complexity | 408 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 281.12g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 281.374g/mol |
| Monoisotopic Mass | 281.12g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 75A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number