| CAS Number | 90434-46-1 |
| Catalog Number | AG0036SO(AGN-PC-0VQK76) |
| Chemical Name | N,N-Dimethylethanolammonium propionate |
| IUPAC Name | 2-(dimethylamino)ethanol;propanoic acid |
| InChI | InChI=1S/C4H11NO.C3H6O2/c1-5(2)3-4-6;1-2-3(4)5/h6H,3-4H2,1-2H3;2H2,1H3,(H,4,5) |
| InChI Key | DWLUNFAUNAHQIY-UHFFFAOYSA-N |
| MDL Number | MFCD09038864 |
| Molecular Formula | C7H17NO3 |
| Molecular Weight | 163.2148 |
| SMILES | O=C(O)CC.OCCN(C)C |
| Synonyms | 90434-46-1,
SCHEMBL11696271,
N,N-Dimethylethanolammonium propionate,
AS-63495,
2-(dimethylamino)ethan-1-ol; propanoic acid,
N,N-DIMETHYL AMMONIUMPROPIONATE,
N,N-DIMETHYL(2-HYDROXYETHYL)AMMONIUM PROPIONATE,
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| Complexity | 68.9 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 163.120843g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 163.21g/mol |
| Monoisotopic Mass | 163.120843g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 60.8Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number