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Diglycolamine
CAS: 929-06-6 | C4H11NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
929-06-6
Molecular Formula:
C4H11NO2
Molecular Mass:
105.14 g/mol
Names and Synonyms:
Diglycolamine
Ethanol, 2-(2-aminoethoxy)-
2-(2-Aminoethoxy)ethanol
Diglycolamine
β-Hydroxy-β′-aminodiethyl ether
Diethylene glycol monoamine
1-Amino-2-(2-hydroxyethoxy)ethane
2-Amino-2′-hydroxydiethyl ether
Diethylene glycol amine
2-(2-Hydroxyethoxy)ethylamine
β-(β-Hydroxyethoxy)ethylamine
2-(Hydroxyethoxy)ethylamine
2-Aminoethyl 2-hydroxyethyl ether
5-Amino-3-oxapentan-1-ol
5-Hydroxy-3-oxapentylamine
NSC 86108
Diglycolamine Agent
2-(2-Aminoethoxy)ethan-1-ol
O-(2-Hydroxyethyl) ethanolamine
Identifiers:
SMILES:
NCCOCCO
InChI:
InChI=1S/C4H11NO2/c5-1-3-7-4-2-6/h6H,1-5H2
Key Properties
Boiling Point
221 °C
CAS Common Chemistry
Density
1.06 g/cm³
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 105.14 g/mol | CAS Common Chemistry |
| 105.13699999999999 g/mol | RDKit | |
| 105.078978592 g/mol | RDKit | |
| Density | 1.06 g/cm³ | CAS Common Chemistry |
| 1.0572 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 221 °C | CAS Common Chemistry |
| Canonical SMILES | OCCOCCN | CAS Common Chemistry |
| InChI | InChI=1S/C4H11NO2/c5-1-3-7-4-2-6/h6H,1-5H2 | CAS Common Chemistry |
| InChI Key | InChIKey=GIAFURWZWWWBQT-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Diglycolamine | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 55.480000000000004 Ų | RDKit |
| LogP | -1.0460000000000003 | RDKit |
| Molar Refractivity | 26.959199999999992 | RDKit |
