AC1Q6TCD
2-[[3-(2-chloroethyl)-2-oxo-1,3,2λ5-oxazaphosphinan-2-yl]amino]ethyl propane-1-sulfonate
Also Known As: 2-Quinolinecarboxylicacid,7-amino-(9CI)|2-[[3-(2-chloroethyl)-2-oxo-1,3,2|1-Propanesulfonicacid,2-((3- ethylester,P-oxide|1-Propanesulfonic acid, 2-((3-(2-chloroethyl)tetrahydro-2H-1,3,2-oxazaphosphorin-2-yl)amino)ethyl ester, P-oxide|2-{[3-(2-chloroethyl)-2-oxido-1,3,2-oxazaphosphinan-2-yl]amino}ethyl propane-1-sulfonate|2-[[3-(2-chloroethyl)-2-oxo-1,3,2|E5-oxazaphosphinan-2-yl]amino]ethyl propane-1-sulfonate|1-Propanesulfonic acid,2-((3-(2-chloroethyl)tetrahydro-2H-1,3,2-oxazaphosphorin-2-yl)amino)ethyl ester,P-oxide|1-Propanesulfonic acid,2-[[3-(2-chloroethyl)tetrahydro-2-oxido-2H-1,3,2-oxazaphosphorin-2-yl]amino]ethylester|2-{[3-(2-Chloroethyl)-2-oxo-1,3,2lambda~5~-oxazaphosphinan-2-yl]amino}ethyl propane-1-sulfonate
| Molecular Formula | C10H22ClN2O5PS |
|---|---|
| Molecular Weight | 348.06757 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 93.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 348.06757 |
| Monoisotopic Mass | 348.06757 |
| Heavy Atoms | 20 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 4431-79-2 |
|---|---|
| SMILES | CCCS(=O)(=O)OCCNP1(=O)N(CCCO1)CCCl |
| InChIKey | XNFSEUMNEVOOCN-UHFFFAOYSA-N |
Product Overview
AC1Q6TCD (CAS 4431-79-2), with molecular formula C10H22ClN2O5PS and molecular weight 348.06757 g/mol. IUPAC: 2-[[3-(2-chloroethyl)-2-oxo-1,3,2λ5-oxazaphosphinan-2-yl]amino]ethyl propane-1-sulfonate.