| CAS Number | 1866-13-3 |
| Catalog Number | AG003TZK(AGN-PC-0QFOUH) |
| Chemical Name | Propionylcholine P-toluenesulfonate |
| IUPAC Name | 4-methylbenzenesulfonate;trimethyl(2-propanoyloxyethyl)azanium |
| InChI | InChI=1S/C8H18NO2.C7H8O3S/c1-5-8(10)11-7-6-9(2,3)4;1-6-2-4-7(5-3-6)11(8,9)10/h5-7H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1 |
| InChI Key | QEWHHEJZLZTUQT-UHFFFAOYSA-M |
| MDL Number | MFCD00059975 |
| Molecular Formula | C15H25NO5S |
| Molecular Weight | 331.4277 |
| SMILES | CCC(=O)OCC[N+](C)(C)C.Cc1ccc(cc1)S([O-])(=O)=O |
| Synonyms | Propionylcholine p-Toluenesulfonate,
1866-13-3,
N,N,N-Trimethyl-2-(propionyloxy)ethanaminium 4-methylbenzenesulfonate,
Propionylcholinep-Toluenesulfonate,
SCHEMBL2352535,
CTK8B3187,
DTXSID50659941,
ANW-41928,
MFCD00059975,
KS-000014Y5,
TR-008623,
FT-0723180,
P0517,
C-44666,
J-011991,
N,N,N-Trimethyl-2-(propanoyloxy)ethan-1-aminium 4-methylbenzene-1-sulfonate,
QEWHHEJZLZTUQT-UHFFFAOYSA-M,
|
| Complexity | 320 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 331.145g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 331.427g/mol |
| Monoisotopic Mass | 331.145g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 91.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number