Back to Search
Molecule
Aminoacetaldehyde Dimethyl Acetal
CAS: 22483-09-6 · C4H11NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 22483-09-6
- Molecular Formula
- C4H11NO2
- Molecular Mass
- 105.14 g/mol
Identifiers
CAS Registry Number
22483-09-6
SMILES
COC(CN)OC
InChI Key
QKWWDTYDYOFRJL-UHFFFAOYSA-N
InChI
InChI=1S/C4H11NO2/c1-6-4(3-5)7-2/h4H,3,5H2,1-2H3
Names and Synonyms
- Aminoacetaldehyde Dimethyl Acetal Common Name
- 2,2-Dimethoxyethanamine Synonym
- 2,2-Dimethoxyethylamine Synonym
- Aminoacetaldehyde dimethyl acetal Synonym
- DEA Synonym
- 2-Aminoacetaldehyde dimethyl acetal Synonym
- Glycinal dimethyl acetal Synonym
- 1-Amino-2,2-dimethoxyethane Synonym
- NSC 73701 Synonym
- Aminoacetaldehyde dimethylacetal Synonym
- 2,2-Dimethoxyethan-1-amine Synonym
- 1-Amino-2,2-dimethyloxyethane Synonym
- N-(2,2-Dimethoxyethyl)amine Synonym
- Ethanamine, 2,2-dimethoxy- Synonym
- Acetaldehyde, amino-, dimethyl acetal Synonym
- Ethylamine, 2,2-dimethoxy- Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 105.14 g/mol | CAS Common Chemistry |
| 105.137 g/mol | RDKit | |
| Density | 0.97 g/cm³ | CAS Common Chemistry |
| 0.9676 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Boiling Point | 137-139 °C | CAS Common Chemistry |
| Canonical SMILES | O(C)C(OC)CN | CAS Common Chemistry |
| InChI | InChI=1S/C4H11NO2/c1-6-4(3-5)7-2/h4H,3,5H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=QKWWDTYDYOFRJL-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Aminoacetaldehyde dimethyl acetal | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 44.480000000000004 Ų | RDKit |
| 44.48 Ų | RDKit | |
| LogP | -0.43600000000000017 | RDKit |
| -0.436 | RDKit | |
| Molar Refractivity | 26.86039999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 105.078978592 g/mol | RDKit |
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
Convert
Quick conversion
MW = 105.14 g/mol; density = 0.970 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H11NO2.
