| CAS Number | 1017410-65-9 |
| Catalog Number | AG00949P(AGN-PC-0WRABU) |
| Chemical Name | 3-Amino-N-tert-butyl-4-methylbenzenesulfonamide |
| IUPAC Name | 3-amino-N-tert-butyl-4-methylbenzenesulfonamide |
| InChI | InChI=1S/C11H18N2O2S/c1-8-5-6-9(7-10(8)12)16(14,15)13-11(2,3)4/h5-7,13H,12H2,1-4H3 |
| InChI Key | HTMQUHOLQCXNEL-UHFFFAOYSA-N |
| MDL Number | MFCD09900854 |
| Molecular Formula | C11H18N2O2S |
| Molecular Weight | 242.3378 |
| SMILES | CC1=C(N)C=C(S(NC(C)(C)C)(=O)=O)C=C1 |
| Synonyms | 3-amino-N-tert-butyl-4-methylbenzenesulfonamide,
1017410-65-9,
3-amino-N-tert-butyl-4-methylbenzene-1-sulfonamide,
ZINC11737019,
AKOS009227967,
MCULE-7577435905,
NE55158,
CJ-13672,
Z6390,
EN300-83047,
Z1250132301,
C11H18N2O2S,
|
| Complexity | 327 |
| 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 | 3 |
| Topological Polar Surface Area | 80.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number