| CAS Number | 749902-34-9 |
| Catalog Number | AG00G3WI |
| Chemical Name | 3-Amino-n,n-diethyl-4-(propylamino)benzene-1-sulfonamide |
| IUPAC Name | 3-amino-N,N-diethyl-4-(propylamino)benzenesulfonamide |
| InChI | InChI=1S/C13H23N3O2S/c1-4-9-15-13-8-7-11(10-12(13)14)19(17,18)16(5-2)6-3/h7-8,10,15H,4-6,9,14H2,1-3H3 |
| InChI Key | WTBKXFUXSGJNIA-UHFFFAOYSA-N |
| MDL Number | MFCD06335786 |
| Molecular Formula | C13H23N3O2S |
| Molecular Weight | 285.4056 |
| SMILES | O=S(C1=CC=C(NCCC)C(N)=C1)(N(CC)CC)=O |
| Synonyms | 3-amino-N,N-diethyl-4-(propylamino)benzenesulfonamide,
749902-34-9,
3-amino-N,N-diethyl-4-(propylamino)benzene-1-sulfonamide,
AC1Q2Y3O,
AC1MX651,
CTK6E5374,
ZINC3887918,
AKOS027427133,
MCULE-3658301067,
NE13151,
EN300-09797,
SR-01000053246,
J-511704,
SR-01000053246-1,
Z56987724,
ZINC03887918,
CID3810560,
|
| Complexity | 349 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 285.151g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 285.406g/mol |
| Monoisotopic Mass | 285.151g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 83.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number