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2,2′-(1,2-Ethanediyldiimino)Bis[Ethanol]
CAS: 4439-20-7 | C6H16N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4439-20-7
Molecular Formula:
C6H16N2O2
Molecular Weight:
148.20600000000002 g/mol
Names and Synonyms:
2,2′-(1,2-Ethanediyldiimino)Bis[Ethanol]
Ethanol, 2,2′-(1,2-ethanediyldiimino)bis-
Ethanol, 2,2′-(ethylenediimino)di-
2,2′-(1,2-Ethanediyldiimino)bis[ethanol]
N,N′-Di(β-hydroxyethyl)ethylenediamine
N,N′-Bis(2-hydroxyethyl)ethylenediamine
1,2-Ethanediamine, N,N′-bis(2-hydroxyethyl)-
1,2-Bis(β-hydroxyethylamino)ethane
1,2-Bis[(2-hydroxyethyl)amino]ethane
N,N′-Diethanolethylenediamine
N,N′-Bis(β-hydroxyethyl)ethylenediamine
Bis(2-hydroxyethylamino)ethane
3,6-Diazaoctane-1,8-diol
N,N′-Bis(2-hydroxyethyl)-1,2-ethanediamine
N,N′-Bis(hydroxyethyl)ethylenediamine
NSC 18476
Amino Alcohol A-EAD
N,N′-Di(2-hydroxyethyl)ethylenediamine
(N,N′-Bis(2-hydroxyethyl)ethylenediamine)
2,2′-(Ethane-1,2-diylbis(azanediyl))diethanol
2-[2-(2-Hydroxyethylamino)ethylamino]ethanol
2-[2-(2-Hydroxy-ethylamino)-ethylamino]-ethanol
Identifiers:
SMILES:
OCCNCCNCCO
InChI:
InChI=1S/C6H16N2O2/c9-5-3-7-1-2-8-4-6-10/h7-10H,1-6H2
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 148.21 g/mol | Legacy Database |
| cas-boiling-point | 175-190 °C @ Press: 13 Torr None | Legacy Database |
| cas-canonical-smile | OCCNCCNCCO None | Legacy Database |
| cas-inchi | InChI=1S/C6H16N2O2/c9-5-3-7-1-2-8-4-6-10/h7-10H,1-6H2 None | Legacy Database |
| cas-inchi-key | InChIKey=GFIWSSUBVYLTRF-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 97.5 °C None | Legacy Database |
| cas-name | 2,2′-(1,2-Ethanediyldiimino)bis[ethanol] None | Legacy Database |
| LogP | -1.8497999999999988 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 148.20600000000002 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 148.121177752 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 4 count | RDKit |
| Hydrogen Bond Donors | 4 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 7 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 64.52 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 39.91100000000001 | RDKit |
