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Aminoacetaldehyde Diethylacetal
CAS: 645-36-3 | C6H15NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
645-36-3
Molecular Formula:
C6H15NO2
Molecular Weight:
133.19100000000003 g/mol
Names and Synonyms:
Aminoacetaldehyde Diethylacetal
Ethanamine, 2,2-diethoxy-
Acetaldehyde, amino-, diethyl acetal
2,2-Diethoxyethanamine
2,2-Diethoxyethylamine
Glycinaldehyde diethyl acetal
Aminoacetaldehyde diethyl acetal
2-Aminoacetaldehyde diethyl acetal
α-Aminoacetaldehyde diethyl acetal
1-Amino-2,2-diethoxyethane
β,β-Diethoxyethylamine
1,1-Diethoxy-2-aminoethane
NSC 19501
2,2-Bis(ethyloxy)ethanamine
2,2-Diethoxyethan-1-amine
Identifiers:
SMILES:
CCOC(CN)OCC
InChI:
InChI=1S/C6H15NO2/c1-3-8-6(5-7)9-4-2/h6H,3-5,7H2,1-2H3
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 133.19100000000003 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 133.11027872 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 5 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 44.480000000000004 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.3442000000000002 | RDKit |
| molecular_mass | 133.19 g/mol | Legacy Database |
| density | 0.92 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Aminoacetaldehyde_diethylacetal None | Legacy Database |
| cas-boiling-point | 163 °C None | Legacy Database |
| cas-canonical-smile | O(CC)C(OCC)CN None | Legacy Database |
| cas-density | 0.9152 g/cm3 @ Temp: 25 °C None | Legacy Database |
| cas-inchi | InChI=1S/C6H15NO2/c1-3-8-6(5-7)9-4-2/h6H,3-5,7H2,1-2H3 None | Legacy Database |
| cas-inchi-key | InChIKey=HJKLEAOXCZIMPI-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -78 °C None | Legacy Database |
| cas-name | Aminoacetaldehyde diethyl acetal None | Legacy Database |
| wikipedia-name | Aminoacetaldehyde diethylacetal None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 36.0944 | RDKit |
