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2,2′-(Ethylenedioxy)Bis(Ethylamine)
CAS: 929-59-9 | C6H16N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
929-59-9
Molecular Formula:
C6H16N2O2
Molecular Weight:
148.206 g/mol
Names and Synonyms:
2,2′-(Ethylenedioxy)Bis(Ethylamine)
EDR 148
DA 10
XTJ 504
Daitocurar J 5030
NSC 28972
2-[2-(2-Aminoethoxy)ethoxy]ethylamine
O,O′-Bis(2-aminoethyl)ethylene glycol
2-(2-(2-Aminoethoxy)ethoxy)ethanamine
1,8-Diamine-3,6-dioxaoctane
2-[2-(2-Aminoethoxy)ethoxy]ethan-1-amine
1,10-Diaza-4,7-dioxadecane
Jeffamine 148
2,2′-(Ethan-1,2-diylbis(oxy))diethanamine
2,2′-(Ethane-1,2-diylbis(oxy))diethanamine
Epic 91B
2,2-(Ethylenedioxy)diethylamine
O,O′-Bis(2-aminoethyl)-1,2-ethanediol
2,2′-(Ethan-1,2-diylbis(oxy))bis(ethan-1-amine)
2,2′-(Ethane-1,2-diylbis(oxy))bis(ethan-1-amine)
2,2′-(Ethylenedioxy)bisethylenediamine
Ethanamine, 2,2′-[1,2-ethanediylbis(oxy)]bis-
Ethylamine, 2,2′-(ethylenedioxy)bis-
2,2′-[1,2-Ethanediylbis(oxy)]bis[ethanamine]
3,6-Dioxa-1,8-octanediamine
1,8-Diamino-3,6-dioxaoctane
1,2-Bis(2-aminoethoxy)ethane
Jeffamine EDR 148
2,2′-(Ethylenedioxy)bis(ethylamine)
Ethylene glycol bis(2-aminoethyl) ether
2,2′-(Ethylenedioxy)diethylamine
Identifiers:
SMILES:
NCCOCCOCCN
InChI:
InChI=1S/C6H16N2O2/c7-1-3-9-5-6-10-4-2-8/h1-8H2
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 | 95-105 °C @ Press: 5 Torr None | Legacy Database |
| cas-canonical-smile | O(CCOCCN)CCN None | Legacy Database |
| cas-inchi | InChI=1S/C6H16N2O2/c7-1-3-9-5-6-10-4-2-8/h1-8H2 None | Legacy Database |
| cas-inchi-key | InChIKey=IWBOPFCKHIJFMS-UHFFFAOYSA-N None | Legacy Database |
| cas-name | 2,2′-(Ethylenedioxy)bis(ethylamine) None | Legacy Database |
| LogP | -1.0629999999999982 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 148.206 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 | 2 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 | 70.5 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 39.74680000000001 | RDKit |
