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Molecule
Dimethylaminoethyl Acetate
CAS: 1421-89-2 · C6H13NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1421-89-2
- Molecular Formula
- C6H13NO2
- Molecular Mass
- 131.18 g/mol
Identifiers
CAS Registry Number
1421-89-2
SMILES
CC(=O)OCCN(C)C
InChI Key
GOLSFPMYASLXJC-UHFFFAOYSA-N
InChI
InChI=1S/C6H13NO2/c1-6(8)9-5-4-7(2)3/h4-5H2,1-3H3
Names and Synonyms
- Dimethylaminoethyl Acetate Common Name
- Acetic acid, 2-(dimethylamino)ethyl ester Synonym
- Ethanol, 2-(dimethylamino)-, acetate Synonym
- 2-(Dimethylamino)ethyl acetate Synonym
- Dimethylaminoethanol acetate Synonym
- Dimethylaminoethyl acetate Synonym
- 2-Dimethylaminoethanol acetate Synonym
- 2-(N,N-Dimethylamino)-1-acetyloxyethane Synonym
- 2-(N,N-Dimethylamino)ethyl acetate Synonym
- NSC 7511 Synonym
- N,N-Dimethylaminoethyl acetate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 131.18 g/mol | CAS Common Chemistry |
| 131.175 g/mol | RDKit | |
| Density | 0.93 g/cm³ | CAS Common Chemistry |
| 0.932 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Canonical SMILES | O=C(OCCN(C)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C6H13NO2/c1-6(8)9-5-4-7(2)3/h4-5H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=GOLSFPMYASLXJC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 129-130 °C | CAS Common Chemistry |
| Name | Dimethylaminoethyl acetate | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 29.54 Ų | RDKit |
| 29.31 Ų | chempirical lib | |
| LogP | 0.11109999999999998 | RDKit |
| 0.1111 | RDKit | |
| Molar Refractivity | 35.18699999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8333 | RDKit |
| 0.83 | chempirical lib | |
| Exact Mass | 131.094628656 g/mol | RDKit |
| Boiling Point | 86-88 °C @ 10 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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Quick conversion
MW = 131.18 g/mol; density = 0.930 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H13NO2.
