| CAS Number | 436095-36-2 |
| Catalog Number | AG019P7G |
| Chemical Name | 3-[(4-ethylpiperazin-1-yl)sulfonyl]aniline |
| IUPAC Name | 3-(4-ethylpiperazin-1-yl)sulfonylaniline |
| InChI | InChI=1S/C12H19N3O2S/c1-2-14-6-8-15(9-7-14)18(16,17)12-5-3-4-11(13)10-12/h3-5,10H,2,6-9,13H2,1H3 |
| InChI Key | WRSXVRQLSKYZMN-UHFFFAOYSA-N |
| MDL Number | MFCD04035372 |
| Molecular Formula | C12H19N3O2S |
| Molecular Weight | 269.3632 |
| SMILES | CCN1CCN(S(C2=CC(N)=CC=C2)(=O)=O)CC1 |
| Synonyms | 3-[(4-ethylpiperazin-1-yl)sulfonyl]aniline,
436095-36-2,
AC1NFTGC,
3-(4-ethylpiperazin-1-yl)sulfonylaniline,
AC1Q316W,
CTK6F0343,
ZINC34651048,
AKOS000122878,
MCULE-7354037409,
NE12801,
EN300-22364,
Z398556818,
CID4713666,
|
| Complexity | 358 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.12g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.363g/mol |
| Monoisotopic Mass | 269.12g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 75A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number