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Molecule
2-[2-(2-Aminoethoxy)Ethoxy]Ethanol
CAS: 6338-55-2 · C6H15NO3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 6338-55-2
- Molecular Formula
- C6H15NO3
- Molecular Mass
- 149.19 g/mol
Identifiers
CAS Registry Number
6338-55-2
SMILES
NCCOCCOCCO
InChI Key
ASDQMECUMYIVBG-UHFFFAOYSA-N
InChI
InChI=1S/C6H15NO3/c7-1-3-9-5-6-10-4-2-8/h8H,1-7H2
Names and Synonyms
- 2-[2-(2-Aminoethoxy)Ethoxy]Ethanol Systematic Name
- Ethanol, 2-[2-(2-aminoethoxy)ethoxy]- Synonym
- 2-[2-(2-Aminoethoxy)ethoxy]ethanol Synonym
- Triethylene glycol monoamine Synonym
- T3EGMA Synonym
- 8-Amino-3,6-dioxa-1-octanol Synonym
- Triglycolamine Synonym
- MA 10 Synonym
- NSC 40760 Synonym
- 8-Amino-3,6-dioxaoctanol Synonym
- 2-[2-(2-Hydroxyethoxy)ethoxy]ethylamine Synonym
- 3,6,9-Trioxadecylamine Synonym
- 2-[2-(2-Aminoethoxy)ethoxy]ethan-1-ol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 149.19 g/mol | CAS Common Chemistry |
| Density | 1.08 g/cm³ | CAS Common Chemistry |
| 1.0773 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Canonical SMILES | OCCOCCOCCN | CAS Common Chemistry |
| InChI | InChI=1S/C6H15NO3/c7-1-3-9-5-6-10-4-2-8/h8H,1-7H2 | CAS Common Chemistry |
| InChI Key | InChIKey=ASDQMECUMYIVBG-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-[2-(2-Aminoethoxy)ethoxy]ethanol | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 64.71000000000001 Ų | RDKit |
| 64.71 Ų | RDKit | |
| LogP | -1.0294 | RDKit |
| Molar Refractivity | 37.778200000000005 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 149.10519334 g/mol | RDKit |
| Boiling Point | 120-130 °C @ 4 Torr | CAS Common Chemistry |
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.
External Resources
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MW = 149.19 g/mol; density = 1.080 g/mL. Edit any field — others recompute live.
