| CAS Number | 1158485-36-9 |
| Catalog Number | AG01AI2Z(AGN-PC-0WOQTU) |
| Chemical Name | 1-(Ethanesulfonyl)propan-2-amine hydrochloride |
| IUPAC Name | 1-ethylsulfonylpropan-2-amine;hydrochloride |
| InChI | InChI=1S/C5H13NO2S.ClH/c1-3-9(7,8)4-5(2)6;/h5H,3-4,6H2,1-2H3;1H |
| InChI Key | MGVGIPQKHLQWDR-UHFFFAOYSA-N |
| MDL Number | MFCD15176479 |
| Molecular Formula | C5H14ClNO2S |
| Molecular Weight | 187.6882 |
| SMILES | Cl.CCS(CC(N)C)(=O)=O |
| Synonyms | 1-(ethanesulfonyl)propan-2-amine hydrochloride,
1158485-36-9,
AKOS026741306,
MCULE-2496866937,
NE31062,
EN300-76580,
Z1267881674,
|
| Complexity | 156 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.682g/mol |
| Monoisotopic Mass | 187.043g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 68.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number