Back to Search
Molecule
Sodium N-Lauryl-Β-Iminodipropionate
CAS: 3655-00-3 · C18H35NNa2O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 3655-00-3
- Molecular Formula
- C18H35NNa2O4
- Molecular Mass
- 375.46 g/mol
Identifiers
CAS Registry Number
3655-00-3
SMILES
CCCCCCCCCCCCN(CCC(=O)O)CCC(=O)O.[Na].[Na]
InChI Key
QTSOZIIBRLXIJQ-UHFFFAOYSA-N
InChI
InChI=1S/C18H35NO4.2Na/c1-2-3-4-5-6-7-8-9-10-11-14-19(15-12-17(20)21)16-13-18(22)23;;/h2-16H2,1H3,(H,20,21)(H,22,23);;
Names and Synonyms
- Sodium N-Lauryl-Β-Iminodipropionate Common Name
- β-Alanine, N-(2-carboxyethyl)-N-dodecyl-, sodium salt (1:2) Synonym
- Propionic acid, 3,3′-(dodecylimino)di-, disodium salt Synonym
- β-Alanine, N-(2-carboxyethyl)-N-dodecyl-, disodium salt Synonym
- Disodium β,β′-(laurylimino)dipropionate Synonym
- Deriphat 160 Synonym
- Disodium N-lauryl-β,β′-iminodipropionate Synonym
- Sodium N-dodecyliminodipropionate Synonym
- Disodium N-lauryl-β-iminodipropionate Synonym
- Disodium 3,3′-(dodecylimino)bis(propionate) Synonym
- Disodium lauriminodipropionate Synonym
- Sodium N-lauryl-β-iminodipropionate Synonym
- N-Lauryl-β-iminodipropionate sodium salt Synonym
- Disodium lauryl-β-iminodipropionate Synonym
- Mirataine H 2C Synonym
- Mirataine H 2C-HA Synonym
- Rewoteric AM-LP Synonym
- N-Lauryl-N,N-di(β-carboxyethyl)amine disodium salt Synonym
- Disodium lauryliminodipropionate Synonym
- Mirataine HC 2-HA Synonym
- JH-L 321 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 375.46 g/mol | CAS Common Chemistry |
| 375.46100000000007 g/mol | RDKit | |
| 375.461 g/mol | RDKit | |
| 377.477 g/mol | chempirical lib | |
| Canonical SMILES | [Na].O=C(O)CCN(CCC(=O)O)CCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C18H35NO4.2Na/c1-2-3-4-5-6-7-8-9-10-11-14-19(15-12-17(20)21)16-13-18(22)23;;/h2-16H2,1H3,(H,20,21)(H,22,23);; | CAS Common Chemistry |
| InChI Key | InChIKey=QTSOZIIBRLXIJQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Sodium N-lauryl-β-iminodipropionate | CAS Common Chemistry |
| Heavy Atom Count | 25 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 17 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 77.84 Ų | RDKit |
| 77.61 Ų | chempirical lib | |
| LogP | 3.397100000000001 | RDKit |
| 3.3971 | RDKit | |
| Molar Refractivity | 104.29760000000007 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8889 | RDKit |
| 0.89 | chempirical lib | |
| Exact Mass | 375.23614716000003 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 375.46 g/mol. Edit any field — others recompute live.
