| CAS Number | 72225-63-9 |
| Catalog Number | AG00FGY5(AGN-PC-0WOJ2K) |
| Chemical Name | 3-amino-N-butyl-4-methylbenzenesulfonamide |
| IUPAC Name | 3-amino-N-butyl-4-methylbenzenesulfonamide |
| InChI | InChI=1S/C11H18N2O2S/c1-3-4-7-13-16(14,15)10-6-5-9(2)11(12)8-10/h5-6,8,13H,3-4,7,12H2,1-2H3 |
| InChI Key | BROLIXCWOLRQGA-UHFFFAOYSA-N |
| MDL Number | MFCD09901911 |
| Molecular Formula | C11H18N2O2S |
| Molecular Weight | 242.3378 |
| SMILES | CCCCNS(C1=CC(N)=C(C)C=C1)(=O)=O |
| Synonyms | 3-amino-N-butyl-4-methylbenzenesulfonamide,
72225-63-9,
ZINC11737149,
CJ-13674,
V7484,
3-amino-N-butyl-4-methylbenzene-1-sulfonamide,
C11H18N2O2S,
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| Complexity | 298 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.109g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.337g/mol |
| Monoisotopic Mass | 242.109g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 80.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number