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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 Weight:
119.16399999999999 g/mol
Names and Synonyms:
(Methylamino)Acetaldehyde Dimethyl Acetal
2,2-Dimethoxy-N-methylethan-1-amine
N-Methyl-2,2-dimethoxyethanamine
N-Methyl(2,2-dimethoxyethyl)amine
(2,2-Dimethoxyethyl)methylamine
N-(2,2-Dimethoxyethyl)-N-methylamine
NSC 66270
Methyl(2,2-dimethoxyethyl)amine
1-(Methylamino)-2,2-dimethoxyethane
Sarcosinal dimethyl acetal
N-(2,2-Dimethoxyethyl)methylamine
N-(2,2-Dimethoxyethyl)methanamine
(Methylamino)acetaldehyde dimethyl acetal
2-(Methylamino)acetaldehyde dimethyl acetal
2,2-Dimethoxy-N-methylethylamine
(N-Methylamino)acetaldehyde dimethyl acetal
2,2-Dimethoxy-N-methylethanamine
Acetaldehyde, (methylamino)-, dimethyl acetal
Ethanamine, 2,2-dimethoxy-N-methyl-
Identifiers:
SMILES:
CNCC(OC)OC
InChI:
InChI=1S/C5H13NO2/c1-6-4-5(7-2)8-3/h5-6H,4H2,1-3H3
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 | 119.16399999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 119.094628656 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 4 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 30.49 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.17530000000000023 | RDKit |
| molecular_mass | 119.16 g/mol | Legacy Database |
| cas-boiling-point | 140 °C None | Legacy Database |
| cas-canonical-smile | O(C)C(OC)CNC None | Legacy Database |
| cas-inchi | InChI=1S/C5H13NO2/c1-6-4-5(7-2)8-3/h5-6H,4H2,1-3H3 None | Legacy Database |
| cas-inchi-key | InChIKey=HUMIEJNVCICTPJ-UHFFFAOYSA-N None | Legacy Database |
| cas-name | (Methylamino)acetaldehyde dimethyl acetal None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 31.732699999999987 | RDKit |
