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2-[[2-(Dimethylamino)Ethyl]Methylamino]Ethanol
CAS: 2212-32-0 | C7H18N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2212-32-0
Molecular Formula:
C7H18N2O
Molecular Weight:
146.234 g/mol
Names and Synonyms:
2-[[2-(Dimethylamino)Ethyl]Methylamino]Ethanol
Jeffcat ZR 110
2-[[2-(Dimethylamino)ethyl](methyl)amino]ethan-1-ol
Lupragen N 400
N,N,N′-Trimethyl-N′-(2-hydroxyethyl)-1,2-ethanediamine
Z 110
2-(2-N,N-Dimethylaminoethyl-N-methylamino)ethanol
N-(2-Dimethylaminoethyl)-N-methylethanolamine
Kaolizer 28
N,N,N′-Trimethyl-N′-(2-hydroxyethyl)ethylenediamine
Jeffcat Z 110
N-(Dimethylaminoethyl)-N-methylethanolamine
RX 5
Toyocat RX 5
N,N,N′-Trimethylaminoethyl ethanolamine
N,N,N′-Trimethyl-N′-(hydroxyethyl)ethylenediamine
Dabco T
2-[[2-(Dimethylamino)ethyl]methylamino]ethanol
Ethanol, 2-[[2-(dimethylamino)ethyl]methylamino]-
Identifiers:
SMILES:
CN(C)CCN(C)CCO
InChI:
InChI=1S/C7H18N2O/c1-8(2)4-5-9(3)6-7-10/h10H,4-7H2,1-3H3
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 | 146.23 g/mol | Legacy Database |
| density | 0.90 g/cm³ | Legacy Database |
| cas-boiling-point | 84 °C @ Press: 10 Torr None | Legacy Database |
| cas-canonical-smile | OCCN(C)CCN(C)C None | Legacy Database |
| cas-density | 0.9044 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C7H18N2O/c1-8(2)4-5-9(3)6-7-10/h10H,4-7H2,1-3H3 None | Legacy Database |
| cas-inchi-key | InChIKey=LSYBWANTZYUTGJ-UHFFFAOYSA-N None | Legacy Database |
| cas-name | 2-[[2-(Dimethylamino)ethyl]methylamino]ethanol None | Legacy Database |
| LogP | -0.5279 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 146.234 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 146.141913196 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 5 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 26.71 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 43.136800000000015 | RDKit |
