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Molecule
2,2-Diethoxy-N,N-Dimethylethanamine
CAS: 3616-56-6 · C8H19NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 3616-56-6
- Molecular Formula
- C8H19NO2
- Molecular Mass
- 161.24 g/mol
Identifiers
CAS Registry Number
3616-56-6
SMILES
CCOC(CN(C)C)OCC
InChI Key
SSFAUOAQOOISRQ-UHFFFAOYSA-N
InChI
InChI=1S/C8H19NO2/c1-5-10-8(11-6-2)7-9(3)4/h8H,5-7H2,1-4H3
Names and Synonyms
- 2,2-Diethoxy-N,N-Dimethylethanamine Systematic Name
- Ethanamine, 2,2-diethoxy-N,N-dimethyl- Synonym
- Acetaldehyde, (dimethylamino)-, diethyl acetal Synonym
- Ethylamine, 2,2-diethoxy-N,N-dimethyl- Synonym
- 2,2-Diethoxy-N,N-dimethylethanamine Synonym
- N-(2,2-Diethoxyethyl)-N,N-dimethylamine Synonym
- N,N-Dimethyl-2,2-diethoxyethylamine Synonym
- (Dimethylamino)acetaldehyde diethyl acetal Synonym
- N,N-Dimethylaminoacetaldehyde diethyl acetal Synonym
- NSC 62042 Synonym
- (2,2-Diethoxyethyl)dimethylamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 161.24 g/mol | CAS Common Chemistry |
| 161.245 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 |
| 21.7 Ų | RDKit | |
| 21.47 Ų | chempirical lib | |
| LogP | 0.9471 | RDKit |
| Molar Refractivity | 45.59400000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 161.141578848 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 161.24 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H19NO2.
