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Molecule
2-[2-(2-Methoxyethoxy)Ethoxy]Ethanamine
CAS: 74654-07-2 · C7H17NO3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 74654-07-2
- Molecular Formula
- C7H17NO3
- Molecular Mass
- 163.22 g/mol
Identifiers
CAS Registry Number
74654-07-2
SMILES
COCCOCCOCCN
InChI Key
OKUWOEKJQRUMBW-UHFFFAOYSA-N
InChI
InChI=1S/C7H17NO3/c1-9-4-5-11-7-6-10-3-2-8/h2-8H2,1H3
Names and Synonyms
- 2-[2-(2-Methoxyethoxy)Ethoxy]Ethanamine Systematic Name
- Ethanamine, 2-[2-(2-methoxyethoxy)ethoxy]- Synonym
- Ethylamine, 2-[2-(2-methoxyethoxy)ethoxy]- Synonym
- 2-[2-(2-Methoxyethoxy)ethoxy]ethanamine Synonym
- 3,6,9-Trioxa-1-aminodecane Synonym
- 2-[2-(2-Methoxyethoxy)ethoxy]ethylamine Synonym
- Tri(ethylene glycol) methyl ether amine Synonym
- 1-[2-(2-Aminoethoxy)ethoxy]-2-methoxyethane Synonym
- 2-(2-(2-Methoxyethoxy)ethoxy)ethan-1-amine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 163.22 g/mol | CAS Common Chemistry |
| 163.21699999999998 g/mol | RDKit | |
| 163.217 g/mol | RDKit | |
| Canonical SMILES | O(C)CCOCCOCCN | CAS Common Chemistry |
| InChI | InChI=1S/C7H17NO3/c1-9-4-5-11-7-6-10-3-2-8/h2-8H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=OKUWOEKJQRUMBW-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-[2-(2-Methoxyethoxy)ethoxy]ethanamine | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 53.71 Ų | RDKit |
| LogP | -0.3752999999999988 | RDKit |
| -0.3753 | RDKit | |
| Molar Refractivity | 42.56840000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 163.120843404 g/mol | RDKit |
| Boiling Point | 106 °C @ 11 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
180
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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.
External Resources
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MW = 163.22 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H17NO3.
