| CAS Number | 1247164-58-4 |
| Catalog Number | AG01AIHP |
| Chemical Name | 4-[(3-Methoxypropane)sulfonyl]aniline |
| IUPAC Name | 4-(3-methoxypropylsulfonyl)aniline |
| InChI | InChI=1S/C10H15NO3S/c1-14-7-2-8-15(12,13)10-5-3-9(11)4-6-10/h3-6H,2,7-8,11H2,1H3 |
| InChI Key | BLPNTHKVBBORLN-UHFFFAOYSA-N |
| MDL Number | MFCD14643845 |
| Molecular Formula | C10H15NO3S |
| Molecular Weight | 229.2960 |
| SMILES | COCCCS(C1=CC=C(N)C=C1)(=O)=O |
| Synonyms | 4-(3-methoxypropanesulfonyl)aniline,
4-[(3-methoxypropane)sulfonyl]aniline,
1247164-58-4,
ZINC42193073,
AKOS010626042,
NE40475,
EN300-77861,
|
| Complexity | 263 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.294g/mol |
| Monoisotopic Mass | 229.077g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 77.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number