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Molecule
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
Identifiers
CAS Registry Number
156028-14-7
SMILES
CCCCCCCCCCCC1=NCC[N+]1(CCO)CC(=O)[O-].[Na]
InChI Key
IOLPZPSWYXRSGB-UHFFFAOYSA-N
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;
Names and Synonyms
- Sodium Lauroamphoacetate Synonym
- 1H-Imidazolium, 1-(carboxymethyl)-4,5-dihydro-1-(2-hydroxyethyl)-2-undecyl-, inner salt, sodium salt (1:1) Synonym
- 1H-Imidazolium, 1-(carboxymethyl)-4,5-dihydro-1-(2-hydroxyethyl)-2-undecyl-, hydroxide, sodium salt Synonym
- Sodium lauroamphoacetate Synonym
- Miranol HMA Synonym
- Genagen LAA Synonym
- Miranol Ultra L 32 Synonym
- Miranol L 32 Ultra Synonym
- Dehyton ML 50 Synonym
- Mackam 1L Synonym
- Miranol L 32 Synonym
- Empigen CDL 30J35 Synonym
- Mackam HPL-28 Synonym
- Colateric SLAA Synonym
- Amphosol 1L Synonym
- Mackam HPL 32 Synonym
- Mackam HPL 28ULS Synonym
- HPL 28ULS Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 349.47 g/mol | CAS Common Chemistry |
| 349.47100000000006 g/mol | RDKit | |
| 349.471 g/mol | RDKit | |
| 350.479 g/mol | chempirical lib | |
| 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 |
| 70.89 Ų | chempirical lib | |
| LogP | 1.4976 | RDKit |
| Molar Refractivity | 96.85420000000005 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8889 | RDKit |
| 0.89 | chempirical lib | |
| Exact Mass | 349.246712228 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 349.47 g/mol. Edit any field — others recompute live.
