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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 Mass:
133.19 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
Key Properties
Boiling Point
163 °C
CAS Common Chemistry
Melting Point
-78 °C
CAS Common Chemistry
Density
0.92 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 | 133.19 g/mol | CAS Common Chemistry |
| 133.19100000000003 g/mol | RDKit | |
| 133.11027872 g/mol | RDKit | |
| Density | 0.92 g/cm³ | CAS Common Chemistry |
| 0.9152 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Aminoacetaldehyde_diethylacetal | CAS Common Chemistry |
| Boiling Point | 163 °C | CAS Common Chemistry |
| Canonical SMILES | O(CC)C(OCC)CN | CAS Common Chemistry |
| InChI | InChI=1S/C6H15NO2/c1-3-8-6(5-7)9-4-2/h6H,3-5,7H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=HJKLEAOXCZIMPI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -78 °C | CAS Common Chemistry |
| Name | Aminoacetaldehyde diethyl acetal | CAS Common Chemistry |
| Aminoacetaldehyde diethylacetal | CAS Common Chemistry | |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 44.480000000000004 Ų | RDKit |
| LogP | 0.3442000000000002 | RDKit |
| Molar Refractivity | 36.0944 | RDKit |
