| CAS Number | 1016528-39-4 |
| Catalog Number | AG01B8KM |
| Chemical Name | 3-amino-N-butyl-N-methylbenzene-1-sulfonamide |
| IUPAC Name | 3-amino-N-butyl-N-methylbenzenesulfonamide |
| InChI | InChI=1S/C11H18N2O2S/c1-3-4-8-13(2)16(14,15)11-7-5-6-10(12)9-11/h5-7,9H,3-4,8,12H2,1-2H3 |
| InChI Key | VTGVFUXEOWKYOB-UHFFFAOYSA-N |
| MDL Number | MFCD09803439 |
| Molecular Formula | C11H18N2O2S |
| Molecular Weight | 242.3378 |
| SMILES | CCCCN(S(C1=CC(N)=CC=C1)(=O)=O)C |
| Synonyms | 3-AMINO-N-BUTYL-N-METHYLBENZENE-1-SULFONAMIDE,
1016528-39-4,
CTK6E2265,
ZINC19388318,
AKOS000159802,
|
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.337g/mol |
| Monoisotopic Mass | 242.109g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 71.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number