| CAS Number | 1157381-77-5 |
| Catalog Number | AG019XVI |
| Chemical Name | [3-(4-Methanesulfonylphenoxy)propyl](methyl)amine |
| IUPAC Name | N-methyl-3-(4-methylsulfonylphenoxy)propan-1-amine |
| InChI | InChI=1S/C11H17NO3S/c1-12-8-3-9-15-10-4-6-11(7-5-10)16(2,13)14/h4-7,12H,3,8-9H2,1-2H3 |
| InChI Key | XEIRCWCBCUQXQM-UHFFFAOYSA-N |
| MDL Number | MFCD12066220 |
| Molecular Formula | C11H17NO3S |
| Molecular Weight | 243.3226 |
| SMILES | CNCCCOC1=CC=C(S(C)(=O)=O)C=C1 |
| Synonyms | [3-(4-methanesulfonylphenoxy)propyl](methyl)amine,
1157381-77-5,
AC1Q41AL,
ZINC37369996,
AKOS008139218,
MCULE-2466937750,
NE21162,
EN300-56148,
Z1259340980,
|
| Complexity | 276 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.093g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.321g/mol |
| Monoisotopic Mass | 243.093g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 63.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
Lot Number