| CAS Number | 893761-94-9 |
| Catalog Number | AG01A2VQ |
| Chemical Name | 4-(aminomethyl)-N-(2-methylpropyl)benzene-1-sulfonamide |
| IUPAC Name | 4-(aminomethyl)-N-(2-methylpropyl)benzenesulfonamide |
| InChI | InChI=1S/C11H18N2O2S/c1-9(2)8-13-16(14,15)11-5-3-10(7-12)4-6-11/h3-6,9,13H,7-8,12H2,1-2H3 |
| InChI Key | NXSHEUKMRPTCLI-UHFFFAOYSA-N |
| MDL Number | MFCD08337815 |
| Molecular Formula | C11H18N2O2S |
| Molecular Weight | 242.3378 |
| SMILES | CC(CNS(C1=CC=C(CN)C=C1)(=O)=O)C |
| Synonyms | 4-(aminomethyl)-N-(2-methylpropyl)benzene-1-sulfonamide,
893761-94-9,
CTK7E5105,
ZINC11849263,
AKOS000136962,
NE18086,
4-(AMINOMETHYL)-N-ISOBUTYLBENZENESULFONAMIDE,
|
| Complexity | 288 |
| 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 | 1.1 |
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Certificate of Analysis
Lot Number