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Molecule
Polyethylene Glycol Bis(2-Aminoethyl) Ether
CAS: 24991-53-5 · C6H16N2O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 24991-53-5
- Molecular Formula
- C6H16N2O2
- Molecular Mass
- 148.21 g/mol
Identifiers
CAS Registry Number
24991-53-5
SMILES
NCCOCCOCCN
InChI Key
IWBOPFCKHIJFMS-UHFFFAOYSA-N
InChI
InChI=1S/C6H16N2O2/c7-1-3-9-5-6-10-4-2-8/h1-8H2
Names and Synonyms
- Polyethylene Glycol Bis(2-Aminoethyl) Ether Common Name
- Poly(oxy-1,2-ethanediyl), α-(2-aminoethyl)-ω-(2-aminoethoxy)- Synonym
- Glycols, polyethylene, bis(2-aminoethyl) ether Synonym
- Ethanol, 2-amino-, diether with polyethylene glycol Synonym
- Polyethylene glycol diamine Synonym
- Poly(oxyethylene)diamine Synonym
- Poly(ethylene oxide)diamine Synonym
- Polyethylene glycol bis(2-aminoethyl) ether Synonym
- PEG 4000DCA Synonym
- PEO-Amine 400 Synonym
- Jeffamine 2001 Synonym
- PEG 1000 Diamine Synonym
- Tetradecaethylene glycol diamine Synonym
- Fluka 06703 Synonym
- Diamine-PEG 897 Synonym
- O,O′-Bis(2-aminoethyl)octadecaethylene glycol Synonym
- Diamino-terminated polyethylene glycol Synonym
- JSJ 73-006 Synonym
- Y 4000 Synonym
- Y 10000 Synonym
- Y 20000 Synonym
- PEO 600 Synonym
- PEG diamine Synonym
- α,ω-Diaminopolyethylene glycol Synonym
- ED 410 Synonym
- ED 220 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 148.21 g/mol | CAS Common Chemistry |
| 148.206 g/mol | RDKit | |
| Canonical SMILES | O(CCOCCN)CCN | CAS Common Chemistry |
| InChI | InChI=1S/C6H16N2O2/c7-1-3-9-5-6-10-4-2-8/h1-8H2 | CAS Common Chemistry |
| InChI Key | InChIKey=IWBOPFCKHIJFMS-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Polyethylene glycol bis(2-aminoethyl) ether | 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 | 70.5 Ų | RDKit |
| LogP | -1.0629999999999982 | RDKit |
| -1.063 | RDKit | |
| Molar Refractivity | 39.74680000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 148.121177752 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.
External Resources
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MW = 148.21 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H16N2O2.
