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Molecule
2-(2-Methoxyethoxy)-N,N-Bis[2-(2-Methoxyethoxy)Ethyl]Ethanamine
CAS: 70384-51-9 · C15H33NO6
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 70384-51-9
- Molecular Formula
- C15H33NO6
- Molecular Mass
- 323.43 g/mol
Identifiers
CAS Registry Number
70384-51-9
SMILES
COCCOCCN(CCOCCOC)CCOCCOC
InChI Key
XGLVDUUYFKXKPL-UHFFFAOYSA-N
InChI
InChI=1S/C15H33NO6/c1-17-10-13-20-7-4-16(5-8-21-14-11-18-2)6-9-22-15-12-19-3/h4-15H2,1-3H3
Names and Synonyms
- 2-(2-Methoxyethoxy)-N,N-Bis[2-(2-Methoxyethoxy)Ethyl]Ethanamine Systematic Name
- Ethanamine, 2-(2-methoxyethoxy)-N,N-bis[2-(2-methoxyethoxy)ethyl]- Synonym
- 2,5,11,14-Tetraoxa-8-azapentadecane, 8-[2-(2-methoxyethoxy)ethyl]- Synonym
- 2-(2-Methoxyethoxy)-N,N-bis[2-(2-methoxyethoxy)ethyl]ethanamine Synonym
- Triethanolamine tris(2-methoxyethyl) ether Synonym
- TDA 1 Synonym
- Tris(3,6-dioxaheptyl)amine Synonym
- Tris[2-(2-methoxyethoxy)ethyl]amine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 323.43 g/mol | CAS Common Chemistry |
| 323.43000000000006 g/mol | RDKit | |
| Canonical SMILES | O(C)CCOCCN(CCOCCOC)CCOCCOC | CAS Common Chemistry |
| InChI | InChI=1S/C15H33NO6/c1-17-10-13-20-7-4-16(5-8-21-14-11-18-2)6-9-22-15-12-19-3/h4-15H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=XGLVDUUYFKXKPL-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-(2-Methoxyethoxy)-N,N-bis[2-(2-methoxyethoxy)ethyl]ethanamine | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 7 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 18 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 58.620000000000005 Ų | RDKit |
| 58.62 Ų | RDKit | |
| 58.39 Ų | chempirical lib | |
| LogP | 0.277400000000003 | RDKit |
| 0.2774 | RDKit | |
| Molar Refractivity | 84.52500000000008 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 323.230787776 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| 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.
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MW = 323.43 g/mol. Edit any field — others recompute live.
