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Sodium N-Lauryl-Β-Iminodipropionate
CAS: 3655-00-3 | C18H35NNa2O4
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
3655-00-3
Molecular Formula:
C18H35NNa2O4
Molecular Mass:
375.46 g/mol
Names and Synonyms:
Sodium N-Lauryl-Β-Iminodipropionate
β-Alanine, N-(2-carboxyethyl)-N-dodecyl-, sodium salt (1:2)
Propionic acid, 3,3′-(dodecylimino)di-, disodium salt
β-Alanine, N-(2-carboxyethyl)-N-dodecyl-, disodium salt
Disodium β,β′-(laurylimino)dipropionate
Deriphat 160
Disodium N-lauryl-β,β′-iminodipropionate
Sodium N-dodecyliminodipropionate
Disodium N-lauryl-β-iminodipropionate
Disodium 3,3′-(dodecylimino)bis(propionate)
Disodium lauriminodipropionate
Sodium N-lauryl-β-iminodipropionate
N-Lauryl-β-iminodipropionate sodium salt
Disodium lauryl-β-iminodipropionate
Mirataine H 2C
Mirataine H 2C-HA
Rewoteric AM-LP
N-Lauryl-N,N-di(β-carboxyethyl)amine disodium salt
Disodium lauryliminodipropionate
Mirataine HC 2-HA
JH-L 321
Identifiers:
SMILES:
CCCCCCCCCCCCN(CCC(=O)O)CCC(=O)O.[Na].[Na]
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);;
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 | 375.46 g/mol | CAS Common Chemistry |
| 375.46100000000007 g/mol | RDKit | |
| 375.23614716000003 g/mol | RDKit | |
| 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 |
| LogP | 3.397100000000001 | RDKit |
| Molar Refractivity | 104.29760000000007 | RDKit |
