HuagongsheHuagongshe Chemistry Print Report · For research reference only
Betaine Aldehyde
Betaine aldehyde · trimethyl-(2-oxoethyl)ammonium · Trimethyl(formylmethyl)ammonium · N,N,N-Trimethyl-2-oxoethanaminium
Identifiers & Physical Properties
| CAS No. | 7418-61-3 |
|---|---|
| Molecular formula | C5H12NO+ |
| Average molar mass | 102.15 g/mol |
| Monoisotopic mass | 102.09188901 g/mol |
| SMILES | C[N+](C)(C)CC=O |
| InChIKey | SXKNCCSPZDCRFD-UHFFFAOYSA-N |
| PubChem CID | 249 |
| ChEMBL | CHEMBL1231491 |
| ChEBI | CHEBI:15710 |
| DTXSID | DTXSID20225152 |
Chemical & Physical Properties
| XLogP | -0.2 |
|---|---|
| Topological polar surface area | 17.1 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 2 |
| Heavy atoms | 7 |
| Formal charge | 1 |
| Complexity | 63 |
| Physical Description | Solid |
| Collision Cross Section | 117.2 Ų [M+H]+ [CCS Type: DTMethod: single field calibrated with Agilent tune mix (Agilent)] |
| FDA UNII | DEI7V5X7RB |