2-(Trimethylammonio)octadecanoate
2-(trimethylazaniumyl)octadecanoate
Also Known As: cetylbetaine|Hexadecylbetaine|Cetyl betaine|cetylbetain|2-(Trimethylammonio)octadecanoate|2-(trimethylazaniumyl)octadecanoate|cetyl betaine, AldrichCPR|2-(trimethylammonio)stearate|EINECS 202-515-8|1-Heptadecanaminium, 1-carboxy-N,N,N-trimethyl-, inner salt|1-Carboxylato-N,N,N-trimethyl-1-heptadecanaminium|1-Heptadecanaminium, 1-carboxy-N,N,N-trimethyl-, hydroxide, inner salt|1-heptadecanaminium,1-carboxy-n,n,n-trimethyl-,innersalt|1-heptadecanaminium,1-carboxy-n,n,n-trimethyl-,hydroxide,innersalt|2-(Trimethylammonio)octadecanoate, EINECS 202-515-8, CID101565, 1-Heptadecanaminium, 1-carboxy-N,N,N-trimethyl-, inner salt, 1-Heptadecanaminium, 1-carboxy-N,N,N-trimethyl-, hydroxide, inner salt, 96-56-0|202-515-8
| Molecular Formula | C21H43NO2 |
|---|---|
| Molecular Weight | 341.32938 g/mol |
| LogP | 4.68 |
| Topological Polar Surface Area | 40.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 17 |
| Exact Mass | 341.32938 |
| Heavy Atoms | 24 |
| Complexity | 296.7 |
Chemical Identifiers
| CAS Number | 96-56-0 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCC(C(=O)[O-])[N+](C)(C)C |
Product Overview
2-(Trimethylammonio)octadecanoate (CAS 96-56-0), with molecular formula C21H43NO2 and molecular weight 341.32938 g/mol. IUPAC: 2-(trimethylazaniumyl)octadecanoate.
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