| CAS Number | 1052139-16-8 |
| Catalog Number | AG01AB6M |
| Chemical Name | 1-(2-Aminoethoxy)-4-methanesulfonylbenzene |
| IUPAC Name | 2-(4-methylsulfonylphenoxy)ethanamine |
| InChI | InChI=1S/C9H13NO3S/c1-14(11,12)9-4-2-8(3-5-9)13-7-6-10/h2-5H,6-7,10H2,1H3 |
| InChI Key | PBXVLTAMALBJHN-UHFFFAOYSA-N |
| MDL Number | MFCD12066143 |
| Molecular Formula | C9H13NO3S |
| Molecular Weight | 215.2694 |
| SMILES | CS(C1=CC=C(OCCN)C=C1)(=O)=O |
| Synonyms | 1-(2-aminoethoxy)-4-methanesulfonylbenzene,
1052139-16-8,
2-(4-methanesulfonylphenoxy)ethan-1-amine,
AC1Q4GJU,
SCHEMBL13589547,
ZINC37369554,
AKOS008139217,
MCULE-7160104784,
NE40332,
EN300-70619,
Z1263820324,
|
| Complexity | 250 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.267g/mol |
| Monoisotopic Mass | 215.062g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 77.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number