| CAS Number | 941869-73-4 |
| Catalog Number | AG01ARAX |
| Chemical Name | 2-{[4-(4-Methoxyphenyl)piperazin-1-yl]sulfonyl}ethan-1-amine |
| IUPAC Name | 2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethanamine |
| InChI | InChI=1S/C13H21N3O3S/c1-19-13-4-2-12(3-5-13)15-7-9-16(10-8-15)20(17,18)11-6-14/h2-5H,6-11,14H2,1H3 |
| InChI Key | YYVBITFNVSORQE-UHFFFAOYSA-N |
| MDL Number | MFCD09743149 |
| Molecular Formula | C13H21N3O3S |
| Molecular Weight | 299.3891 |
| SMILES | COC1=CC=C(N2CCN(S(CCN)(=O)=O)CC2)C=C1 |
| Synonyms | 941869-73-4,
2-{[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl}ethan-1-amine,
2-{[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl}ethanamine,
2-((4-(4-methoxyphenyl)piperazin-1-yl)sulfonyl)ethanamine,
BBL010904,
MFCD09743149,
STK655984,
ZINC11919918,
AKOS000159359,
MCULE-5453550873,
EN300-238452,
F2145-0053,
Z285213722,
|
| Complexity | 380 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 299.13g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 299.389g/mol |
| Monoisotopic Mass | 299.13g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 84.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number