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Molecule
2,2-Dimethoxy-N,N-Dimethylethanamine
CAS: 38711-20-5 · C6H15NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 38711-20-5
- Molecular Formula
- C6H15NO2
- Molecular Mass
- 133.19 g/mol
Identifiers
CAS Registry Number
38711-20-5
SMILES
COC(CN(C)C)OC
InChI Key
HUYAEQCJNXODLQ-UHFFFAOYSA-N
InChI
InChI=1S/C6H15NO2/c1-7(2)5-6(8-3)9-4/h6H,5H2,1-4H3
Names and Synonyms
- 2,2-Dimethoxy-N,N-Dimethylethanamine Synonym
- Ethanamine, 2,2-dimethoxy-N,N-dimethyl- Synonym
- Acetaldehyde, (dimethylamino)-, dimethyl acetal Synonym
- 2,2-Dimethoxy-N,N-dimethylethanamine Synonym
- (Dimethylamino)acetaldehyde dimethyl acetal Synonym
- 2-(Dimethylamino)acetaldehyde dimethyl acetal Synonym
- 2,2-Dimethoxy-N,N-dimethylethylamine Synonym
- 1,1-Dimethoxy-2-(dimethylamino)ethane Synonym
- (2,2-Dimethoxyethyl)dimethylamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 133.19 g/mol | CAS Common Chemistry |
| 133.191 g/mol | RDKit | |
| 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 |
| 21.7 Ų | RDKit | |
| 21.47 Ų | chempirical lib | |
| LogP | 0.16690000000000005 | RDKit |
| 0.1669 | RDKit | |
| Molar Refractivity | 36.36 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 133.11027872 g/mol | RDKit |
| Boiling Point | 80-81 °C @ 112 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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.
External Resources
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MW = 133.19 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H15NO2.
