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Molecule
(Methylamino)Acetaldehyde Dimethyl Acetal
CAS: 122-07-6 · C5H13NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 122-07-6
- Molecular Formula
- C5H13NO2
- Molecular Mass
- 119.16 g/mol
Identifiers
CAS Registry Number
122-07-6
SMILES
CNCC(OC)OC
InChI Key
HUMIEJNVCICTPJ-UHFFFAOYSA-N
InChI
InChI=1S/C5H13NO2/c1-6-4-5(7-2)8-3/h5-6H,4H2,1-3H3
Names and Synonyms
- (Methylamino)Acetaldehyde Dimethyl Acetal Common Name
- Ethanamine, 2,2-dimethoxy-N-methyl- Synonym
- Acetaldehyde, (methylamino)-, dimethyl acetal Synonym
- 2,2-Dimethoxy-N-methylethanamine Synonym
- (N-Methylamino)acetaldehyde dimethyl acetal Synonym
- 2,2-Dimethoxy-N-methylethylamine Synonym
- 2-(Methylamino)acetaldehyde dimethyl acetal Synonym
- (Methylamino)acetaldehyde dimethyl acetal Synonym
- N-(2,2-Dimethoxyethyl)methanamine Synonym
- N-(2,2-Dimethoxyethyl)methylamine Synonym
- Sarcosinal dimethyl acetal Synonym
- 1-(Methylamino)-2,2-dimethoxyethane Synonym
- Methyl(2,2-dimethoxyethyl)amine Synonym
- NSC 66270 Synonym
- N-(2,2-Dimethoxyethyl)-N-methylamine Synonym
- (2,2-Dimethoxyethyl)methylamine Synonym
- N-Methyl(2,2-dimethoxyethyl)amine Synonym
- N-Methyl-2,2-dimethoxyethanamine Synonym
- 2,2-Dimethoxy-N-methylethan-1-amine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 119.16 g/mol | CAS Common Chemistry |
| 119.16399999999999 g/mol | RDKit | |
| 119.164 g/mol | RDKit | |
| Boiling Point | 140 °C | CAS Common Chemistry |
| Canonical SMILES | O(C)C(OC)CNC | CAS Common Chemistry |
| InChI | InChI=1S/C5H13NO2/c1-6-4-5(7-2)8-3/h5-6H,4H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=HUMIEJNVCICTPJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | (Methylamino)acetaldehyde dimethyl acetal | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 30.49 Ų | RDKit |
| LogP | -0.17530000000000023 | RDKit |
| -0.1753 | RDKit | |
| Molar Refractivity | 31.732699999999987 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 119.094628656 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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140
120
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20
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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.
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MW = 119.16 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H13NO2.
