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2,2-Dimethoxy-N,N-Dimethylethanamine
CAS: 38711-20-5 | C6H15NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
38711-20-5
Molecular Formula:
C6H15NO2
Molecular Weight:
133.191 g/mol
Names and Synonyms:
2,2-Dimethoxy-N,N-Dimethylethanamine
Ethanamine, 2,2-dimethoxy-N,N-dimethyl-
Acetaldehyde, (dimethylamino)-, dimethyl acetal
2,2-Dimethoxy-N,N-dimethylethanamine
(Dimethylamino)acetaldehyde dimethyl acetal
2-(Dimethylamino)acetaldehyde dimethyl acetal
2,2-Dimethoxy-N,N-dimethylethylamine
1,1-Dimethoxy-2-(dimethylamino)ethane
(2,2-Dimethoxyethyl)dimethylamine
Identifiers:
SMILES:
COC(CN(C)C)OC
InChI:
InChI=1S/C6H15NO2/c1-7(2)5-6(8-3)9-4/h6H,5H2,1-4H3
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 133.191 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 133.11027872 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 4 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 21.700000000000003 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.16690000000000005 | RDKit |
| molecular_mass | 133.19 g/mol | Legacy Database |
| cas-boiling-point | 80-81 °C @ Press: 112 Torr None | Legacy Database |
| cas-canonical-smile | O(C)C(OC)CN(C)C None | Legacy Database |
| cas-inchi | InChI=1S/C6H15NO2/c1-7(2)5-6(8-3)9-4/h6H,5H2,1-4H3 None | Legacy Database |
| cas-inchi-key | InChIKey=HUYAEQCJNXODLQ-UHFFFAOYSA-N None | Legacy Database |
| cas-name | 2,2-Dimethoxy-N,N-dimethylethanamine None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 36.36 | RDKit |
