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Molecule
Aminoacetaldehyde Diethylacetal
CAS: 645-36-3 · C6H15NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 645-36-3
- Molecular Formula
- C6H15NO2
- Molecular Mass
- 133.19 g/mol
Identifiers
CAS Registry Number
645-36-3
SMILES
CCOC(CN)OCC
InChI Key
HJKLEAOXCZIMPI-UHFFFAOYSA-N
InChI
InChI=1S/C6H15NO2/c1-3-8-6(5-7)9-4-2/h6H,3-5,7H2,1-2H3
Names and Synonyms
- Aminoacetaldehyde Diethylacetal Synonym
- Ethanamine, 2,2-diethoxy- Synonym
- Acetaldehyde, amino-, diethyl acetal Synonym
- 2,2-Diethoxyethanamine Synonym
- 2,2-Diethoxyethylamine Synonym
- Glycinaldehyde diethyl acetal Synonym
- Aminoacetaldehyde diethyl acetal Synonym
- 2-Aminoacetaldehyde diethyl acetal Synonym
- α-Aminoacetaldehyde diethyl acetal Synonym
- 1-Amino-2,2-diethoxyethane Synonym
- β,β-Diethoxyethylamine Synonym
- 1,1-Diethoxy-2-aminoethane Synonym
- NSC 19501 Synonym
- 2,2-Bis(ethyloxy)ethanamine Synonym
- 2,2-Diethoxyethan-1-amine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 133.19 g/mol | CAS Common Chemistry |
| 133.19100000000003 g/mol | RDKit | |
| 133.191 g/mol | RDKit | |
| Density | 0.92 g/cm³ | CAS Common Chemistry |
| 0.9152 g/cm3 @ 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 |
| 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 |
| 44.48 Ų | RDKit | |
| LogP | 0.3442000000000002 | RDKit |
| 0.3442 | RDKit | |
| Molar Refractivity | 36.0944 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 133.11027872 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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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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MW = 133.19 g/mol; density = 0.920 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H15NO2.
