Back to Search
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
Names and Synonyms:
Aminoacetaldehyde Dimethyl Acetal
2,2-Dimethoxyethanamine
2,2-Dimethoxyethylamine
Aminoacetaldehyde dimethyl acetal
DEA
2-Aminoacetaldehyde dimethyl acetal
Glycinal dimethyl acetal
1-Amino-2,2-dimethoxyethane
NSC 73701
Aminoacetaldehyde dimethylacetal
2,2-Dimethoxyethan-1-amine
1-Amino-2,2-dimethyloxyethane
N-(2,2-Dimethoxyethyl)amine
Ethanamine, 2,2-dimethoxy-
Acetaldehyde, amino-, dimethyl acetal
Ethylamine, 2,2-dimethoxy-
Identifiers:
SMILES:
COC(CN)OC
InChI:
InChI=1S/C4H11NO2/c1-6-4(3-5)7-2/h4H,3,5H2,1-2H3
Key Properties
Boiling Point
137-139 °C
CAS Common Chemistry
Density
0.97 g/cm³
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 | 105.14 g/mol | CAS Common Chemistry |
| 105.137 g/mol | RDKit | |
| 105.078978592 g/mol | RDKit | |
| Density | 0.97 g/cm³ | CAS Common Chemistry |
| 0.9676 g/cm3 @ Temp: 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 |
| LogP | -0.43600000000000017 | RDKit |
| Molar Refractivity | 26.86039999999999 | RDKit |
