| CAS Number | 733030-46-1 |
| Catalog Number | AG00FC6B |
| Chemical Name | 3-amino-4-(butylamino)-N,N-dimethylbenzene-1-sulfonamide |
| IUPAC Name | 3-amino-4-(butylamino)-N,N-dimethylbenzenesulfonamide |
| InChI | InChI=1S/C12H21N3O2S/c1-4-5-8-14-12-7-6-10(9-11(12)13)18(16,17)15(2)3/h6-7,9,14H,4-5,8,13H2,1-3H3 |
| InChI Key | QYHVUBJQYJBZIL-UHFFFAOYSA-N |
| MDL Number | MFCD04635812 |
| Molecular Formula | C12H21N3O2S |
| Molecular Weight | 271.3790 |
| SMILES | O=S(C1=CC=C(NCCCC)C(N)=C1)(N(C)C)=O |
| Synonyms | 3-amino-4-(butylamino)-N,N-dimethylbenzenesulfonamide,
733030-46-1,
3-amino-4-(butylamino)-N,N-dimethylbenzene-1-sulfonamide,
AC1MYJ79,
AC1Q2X52,
CTK6E2862,
ZINC3887114,
AKOS008967049,
MCULE-1459425554,
NE12976,
EN300-07802,
SR-01000049272,
J-511593,
SR-01000049272-1,
Z56960146,
ZINC03887114,
CID3832679,
|
| Complexity | 338 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.135g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.379g/mol |
| Monoisotopic Mass | 271.135g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 83.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number