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(Methylamino)Acetaldehyde Dimethyl Acetal
CAS: 122-07-6 | C5H13NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
122-07-6
Molecular Formula:
C5H13NO2
Molecular Mass:
119.16 g/mol
Names and Synonyms:
(Methylamino)Acetaldehyde Dimethyl Acetal
Ethanamine, 2,2-dimethoxy-N-methyl-
Acetaldehyde, (methylamino)-, dimethyl acetal
2,2-Dimethoxy-N-methylethanamine
(N-Methylamino)acetaldehyde dimethyl acetal
2,2-Dimethoxy-N-methylethylamine
2-(Methylamino)acetaldehyde dimethyl acetal
(Methylamino)acetaldehyde dimethyl acetal
N-(2,2-Dimethoxyethyl)methanamine
N-(2,2-Dimethoxyethyl)methylamine
Sarcosinal dimethyl acetal
1-(Methylamino)-2,2-dimethoxyethane
Methyl(2,2-dimethoxyethyl)amine
NSC 66270
N-(2,2-Dimethoxyethyl)-N-methylamine
(2,2-Dimethoxyethyl)methylamine
N-Methyl(2,2-dimethoxyethyl)amine
N-Methyl-2,2-dimethoxyethanamine
2,2-Dimethoxy-N-methylethan-1-amine
Identifiers:
SMILES:
CNCC(OC)OC
InChI:
InChI=1S/C5H13NO2/c1-6-4-5(7-2)8-3/h5-6H,4H2,1-3H3
Key Properties
Boiling Point
140 °C
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 | 119.16 g/mol | CAS Common Chemistry |
| 119.16399999999999 g/mol | RDKit | |
| 119.094628656 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 |
| Molar Refractivity | 31.732699999999987 | RDKit |
