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Sodium Lauroamphoacetate
CAS: 156028-14-7 | C18H34N2NaO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
156028-14-7
Molecular Formula:
C18H34N2NaO3
Molecular Mass:
349.47 g/mol
Names and Synonyms:
Sodium Lauroamphoacetate
1H-Imidazolium, 1-(carboxymethyl)-4,5-dihydro-1-(2-hydroxyethyl)-2-undecyl-, inner salt, sodium salt (1:1)
1H-Imidazolium, 1-(carboxymethyl)-4,5-dihydro-1-(2-hydroxyethyl)-2-undecyl-, hydroxide, sodium salt
Sodium lauroamphoacetate
Miranol HMA
Genagen LAA
Miranol Ultra L 32
Miranol L 32 Ultra
Dehyton ML 50
Mackam 1L
Miranol L 32
Empigen CDL 30J35
Mackam HPL-28
Colateric SLAA
Amphosol 1L
Mackam HPL 32
Mackam HPL 28ULS
HPL 28ULS
Identifiers:
SMILES:
CCCCCCCCCCCC1=NCC[N+]1(CCO)CC(=O)[O-].[Na]
InChI:
InChI=1S/C18H34N2O3.Na/c1-2-3-4-5-6-7-8-9-10-11-17-19-12-13-20(17,14-15-21)16-18(22)23;/h21H,2-16H2,1H3;
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 349.47 g/mol | CAS Common Chemistry |
| 349.47100000000006 g/mol | RDKit | |
| 349.246712228 g/mol | RDKit | |
| Canonical SMILES | [Na].O=C([O-])C[N+]1(C(=NCC1)CCCCCCCCCCC)CCO | CAS Common Chemistry |
| InChI | InChI=1S/C18H34N2O3.Na/c1-2-3-4-5-6-7-8-9-10-11-17-19-12-13-20(17,14-15-21)16-18(22)23;/h21H,2-16H2,1H3; | CAS Common Chemistry |
| InChI Key | InChIKey=IOLPZPSWYXRSGB-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Sodium lauroamphoacetate | CAS Common Chemistry |
| Heavy Atom Count | 24 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 14 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 72.72 Ų | RDKit |
| LogP | 1.4976 | RDKit |
| Molar Refractivity | 96.85420000000005 | RDKit |
