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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 Mass:
133.19 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
Key Properties
Boiling Point
80-81 °C @ Press: 112 Torr
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 | 133.19 g/mol | CAS Common Chemistry |
| 133.191 g/mol | RDKit | |
| 133.11027872 g/mol | RDKit | |
| Boiling Point | 80-81 °C @ Press: 112 Torr | CAS Common Chemistry |
| Canonical SMILES | O(C)C(OC)CN(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C6H15NO2/c1-7(2)5-6(8-3)9-4/h6H,5H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=HUYAEQCJNXODLQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2,2-Dimethoxy-N,N-dimethylethanamine | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 21.700000000000003 Ų | RDKit |
| LogP | 0.16690000000000005 | RDKit |
| Molar Refractivity | 36.36 | RDKit |
