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Molecule
2,2′-(1,2-Ethanediyldiimino)Bis[Ethanol]
CAS: 4439-20-7 · C6H16N2O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 4439-20-7
- Molecular Formula
- C6H16N2O2
- Molecular Mass
- 148.21 g/mol
Identifiers
CAS Registry Number
4439-20-7
SMILES
OCCNCCNCCO
InChI Key
GFIWSSUBVYLTRF-UHFFFAOYSA-N
InChI
InChI=1S/C6H16N2O2/c9-5-3-7-1-2-8-4-6-10/h7-10H,1-6H2
Names and Synonyms
- 2,2′-(1,2-Ethanediyldiimino)Bis[Ethanol] Synonym
- Ethanol, 2,2′-(1,2-ethanediyldiimino)bis- Synonym
- Ethanol, 2,2′-(ethylenediimino)di- Synonym
- 2,2′-(1,2-Ethanediyldiimino)bis[ethanol] Synonym
- N,N′-Di(β-hydroxyethyl)ethylenediamine Synonym
- N,N′-Bis(2-hydroxyethyl)ethylenediamine Synonym
- 1,2-Ethanediamine, N,N′-bis(2-hydroxyethyl)- Synonym
- 1,2-Bis(β-hydroxyethylamino)ethane Synonym
- 1,2-Bis[(2-hydroxyethyl)amino]ethane Synonym
- N,N′-Diethanolethylenediamine Synonym
- N,N′-Bis(β-hydroxyethyl)ethylenediamine Synonym
- Bis(2-hydroxyethylamino)ethane Synonym
- 3,6-Diazaoctane-1,8-diol Synonym
- N,N′-Bis(2-hydroxyethyl)-1,2-ethanediamine Synonym
- N,N′-Bis(hydroxyethyl)ethylenediamine Synonym
- NSC 18476 Synonym
- Amino Alcohol A-EAD Synonym
- N,N′-Di(2-hydroxyethyl)ethylenediamine Synonym
- (N,N′-Bis(2-hydroxyethyl)ethylenediamine) Synonym
- 2,2′-(Ethane-1,2-diylbis(azanediyl))diethanol Synonym
- 2-[2-(2-Hydroxyethylamino)ethylamino]ethanol Synonym
- 2-[2-(2-Hydroxy-ethylamino)-ethylamino]-ethanol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 148.21 g/mol | CAS Common Chemistry |
| 148.20600000000002 g/mol | RDKit | |
| 148.206 g/mol | RDKit | |
| Canonical SMILES | OCCNCCNCCO | CAS Common Chemistry |
| InChI | InChI=1S/C6H16N2O2/c9-5-3-7-1-2-8-4-6-10/h7-10H,1-6H2 | CAS Common Chemistry |
| InChI Key | InChIKey=GFIWSSUBVYLTRF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 97.5 °C | CAS Common Chemistry |
| Name | 2,2′-(1,2-Ethanediyldiimino)bis[ethanol] | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 64.52 Ų | RDKit |
| LogP | -1.8497999999999988 | RDKit |
| -1.8498 | RDKit | |
| Molar Refractivity | 39.91100000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 148.121177752 g/mol | RDKit |
| Boiling Point | 175-190 °C @ 13 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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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 = 148.21 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H16N2O2.
