| CAS Number | 721916-02-5 |
| Catalog Number | AG019IZ2 |
| Chemical Name | 3-amino-4-(butylamino)-N,N-diethylbenzene-1-sulfonamide |
| IUPAC Name | 3-amino-4-(butylamino)-N,N-diethylbenzenesulfonamide |
| InChI | InChI=1S/C14H25N3O2S/c1-4-7-10-16-14-9-8-12(11-13(14)15)20(18,19)17(5-2)6-3/h8-9,11,16H,4-7,10,15H2,1-3H3 |
| InChI Key | WHTYVNKWRFHFHQ-UHFFFAOYSA-N |
| MDL Number | MFCD03956407 |
| Molecular Formula | C14H25N3O2S |
| Molecular Weight | 299.4322 |
| SMILES | CCCCNC1=C(N)C=C(S(N(CC)CC)(=O)=O)C=C1 |
| Synonyms | 3-amino-4-(butylamino)-N,N-diethylbenzene-1-sulfonamide,
721916-02-5,
3-amino-4-(butylamino)-N,N-diethylbenzenesulfonamide,
AC1MT60S,
AC1Q2X53,
CTK6E2863,
ZINC3887224,
AKOS034462672,
MCULE-4760369745,
NE12630,
EN300-08187,
SR-01000037936,
SR-01000037936-1,
Z56870570,
ZINC03887224,
CID3595475,
|
| Complexity | 363 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 299.167g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 299.433g/mol |
| Monoisotopic Mass | 299.167g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 83.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number