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Molecule
2-[2-[2-(2-Aminoethoxy)Ethoxy]Ethoxy]Ethanol
CAS: 86770-74-3 · C8H19NO4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 86770-74-3
- Molecular Formula
- C8H19NO4
- Molecular Mass
- 193.24 g/mol
Identifiers
CAS Registry Number
86770-74-3
SMILES
NCCOCCOCCOCCO
InChI Key
ANOJXMUSDYSKET-UHFFFAOYSA-N
InChI
InChI=1S/C8H19NO4/c9-1-3-11-5-7-13-8-6-12-4-2-10/h10H,1-9H2
Names and Synonyms
- 2-[2-[2-(2-Aminoethoxy)Ethoxy]Ethoxy]Ethanol Systematic Name
- Ethanol, 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]- Synonym
- 2-[2-[2-(2-Aminoethoxy)ethoxy]ethoxy]ethanol Synonym
- 11-Amino-3,6,9-trioxaundecanol Synonym
- T4EGMA Synonym
- Tetraethylene glycol monoamine Synonym
- 2-[2-[2-(2-Hydroxyethoxy)ethoxy]ethoxy]ethylamine Synonym
- 2-(2-(2-(2-Aminoethoxy)ethoxy)ethoxy)ethan-1-ol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 193.24 g/mol | CAS Common Chemistry |
| 193.24299999999997 g/mol | RDKit | |
| 193.243 g/mol | RDKit | |
| Canonical SMILES | OCCOCCOCCOCCN | CAS Common Chemistry |
| InChI | InChI=1S/C8H19NO4/c9-1-3-11-5-7-13-8-6-12-4-2-10/h10H,1-9H2 | CAS Common Chemistry |
| InChI Key | InChIKey=ANOJXMUSDYSKET-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-[2-[2-(2-Aminoethoxy)ethoxy]ethoxy]ethanol | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 10 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 73.94000000000001 Ų | RDKit |
| 73.94 Ų | RDKit | |
| LogP | -1.0127999999999988 | RDKit |
| -1.0128 | RDKit | |
| Molar Refractivity | 48.597200000000036 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 193.131408088 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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140
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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 = 193.24 g/mol. Edit any field — others recompute live.
