| CAS Number | 111755-76-1 |
| Catalog Number | AG01EQC7(AGN-PC-0NXQSQ) |
| Chemical Name | N-(2-hydroxyethyl)-N,N-dimethyl-2-propyn-1-aminium,monobromide |
| IUPAC Name | 2-hydroxyethyl-dimethyl-prop-2-ynylazanium;bromide |
| InChI | InChI=1S/C7H14NO.BrH/c1-4-5-8(2,3)6-7-9;/h1,9H,5-7H2,2-3H3;1H/q+1;/p-1 |
| InChI Key | CDMUCZDUIQLBJB-UHFFFAOYSA-M |
| MDL Number | MFCD22199535 |
| Molecular Formula | C7H14BrNO |
| Molecular Weight | 208.0962 |
| SMILES | C#CC[N+](C)(CCO)C.[Br-] |
| Synonyms | propargyl-Cho,
propargylcholine,
propargylcholine,
111755-76-1,
AOBT7378,
AS-17070,
N-(2-hydroxyethyl)-N,N-dimethyl-2-propyn-1-aminium,monobromide,
propargylcholine bromide,
|
| Complexity | 120 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.099g/mol |
| Monoisotopic Mass | 207.026g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 20.2A^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