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2,2-Diethoxy-N,N-Dimethylethanamine
CAS: 3616-56-6 | C8H19NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3616-56-6
Molecular Formula:
C8H19NO2
Molecular Mass:
161.24 g/mol
Names and Synonyms:
2,2-Diethoxy-N,N-Dimethylethanamine
Ethanamine, 2,2-diethoxy-N,N-dimethyl-
Acetaldehyde, (dimethylamino)-, diethyl acetal
Ethylamine, 2,2-diethoxy-N,N-dimethyl-
2,2-Diethoxy-N,N-dimethylethanamine
N-(2,2-Diethoxyethyl)-N,N-dimethylamine
N,N-Dimethyl-2,2-diethoxyethylamine
(Dimethylamino)acetaldehyde diethyl acetal
N,N-Dimethylaminoacetaldehyde diethyl acetal
NSC 62042
(2,2-Diethoxyethyl)dimethylamine
Identifiers:
SMILES:
CCOC(CN(C)C)OCC
InChI:
InChI=1S/C8H19NO2/c1-5-10-8(11-6-2)7-9(3)4/h8H,5-7H2,1-4H3
Key Properties
Boiling Point
170.5 °C
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 | 161.24 g/mol | CAS Common Chemistry |
| 161.245 g/mol | RDKit | |
| 161.141578848 g/mol | RDKit | |
| Boiling Point | 170.5 °C | CAS Common Chemistry |
| Canonical SMILES | O(CC)C(OCC)CN(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H19NO2/c1-5-10-8(11-6-2)7-9(3)4/h8H,5-7H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=SSFAUOAQOOISRQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2,2-Diethoxy-N,N-dimethylethanamine | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 21.700000000000003 Ų | RDKit |
| LogP | 0.9471 | RDKit |
| Molar Refractivity | 45.59400000000002 | RDKit |
