| CAS Number | 1311315-24-8 |
| Catalog Number | AG01AHX7(AGN-PC-0WO7TO) |
| Chemical Name | [1-(ethanesulfonyl)propan-2-yl](ethyl)amine |
| IUPAC Name | N-ethyl-1-ethylsulfonylpropan-2-amine |
| InChI | InChI=1S/C7H17NO2S/c1-4-8-7(3)6-11(9,10)5-2/h7-8H,4-6H2,1-3H3 |
| InChI Key | ONINZFLRQKPHGB-UHFFFAOYSA-N |
| MDL Number | MFCD18785619 |
| Molecular Formula | C7H17NO2S |
| Molecular Weight | 179.2804 |
| SMILES | CCNC(CS(CC)(=O)=O)C |
| Synonyms | [1-(ethanesulfonyl)propan-2-yl](ethyl)amine,
1311315-24-8,
AKOS013267491,
MCULE-7004020880,
NE19678,
EN300-76055,
Z1267882057,
|
| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.098g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.278g/mol |
| Monoisotopic Mass | 179.098g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 54.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
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Certificate of Analysis
Lot Number