Ethanol, 2,2'-(methylimino)di-, bismethanesulfonate (ester), picrylsulfonate
N-methyl-2-methylsulfonyl-N-(2-methylsulfonylethyl)ethanamine;2,4,6-trinitrobenzenesulfonic acid
Also Known As: 2,2'-(Methylimino)diethanol bismethanesulfonate picrylsulfonate|2,2'-Dimesyloxy-N-methyldiethylamine picrylsulfonate|Ethanol, 2,2'-(methylimino)di-, bismethanesulfonate (ester), picrylsulfonate|2,4,6-Trinitrobenzene-1-sulfonic acid--2-(methanesulfonyl)-N-[2-(methanesulfonyl)ethyl]-N-methylethan-1-amine (1/1)|N-methyl-2-methylsulfonyl-N-(2-methylsulfonylethyl)ethanamine; 2,4,6-trinitrobenzenesulfonic acid
| Molecular Formula | C13H20N4O13S3 |
|---|---|
| Molecular Weight | 536.0189 g/mol |
| LogP | -0.3347 |
| Topological Polar Surface Area | 288.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 7 |
| Exact Mass | 536.0189 |
| Monoisotopic Mass | 536.0189 |
| Heavy Atoms | 33 |
| Complexity | 780.0 |
Chemical Identifiers
| CAS Number | 3545-53-7 |
|---|---|
| SMILES | CN(CCS(=O)(=O)C)CCS(=O)(=O)C.C1=C(C=C(C(=C1[N+](=O)[O-])S(=O)(=O)O)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | MSZNDTILGJKSFM-UHFFFAOYSA-N |
Product Overview
Ethanol, 2,2'-(methylimino)di-, bismethanesulfonate (ester), picrylsulfonate (CAS 3545-53-7), with molecular formula C13H20N4O13S3 and molecular weight 536.0189 g/mol. IUPAC: N-methyl-2-methylsulfonyl-N-(2-methylsulfonylethyl)ethanamine;2,4,6-trinitrobenzenesulfonic acid.