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N,N-Dimethyl-1,3-Dioxolan-2-Amine
CAS: 19449-26-4 | C5H11NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
19449-26-4
Molecular Formula:
C5H11NO2
Molecular Weight:
117.148 g/mol
Names and Synonyms:
N,N-Dimethyl-1,3-Dioxolan-2-Amine
N,N-Dimethylformamide ethylene acetal
NSC 119918
Dimethylformamide cyclic ethylene acetal
N,N-Dimethyl-1,3-dioxolan-2-amine
1,3-Dioxolan-2-amine, N,N-dimethyl-
Identifiers:
SMILES:
CN(C)C1OCCO1
InChI:
InChI=1S/C5H11NO2/c1-6(2)5-7-3-4-8-5/h5H,3-4H2,1-2H3
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 | 117.148 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 117.078978592 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 | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 21.700000000000003 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.12160000000000015 | RDKit |
| molecular_mass | 117.15 g/mol | Legacy Database |
| density | 1.01 g/cm³ | Legacy Database |
| cas-boiling-point | 142-144 °C None | Legacy Database |
| cas-canonical-smile | O1CCOC1N(C)C None | Legacy Database |
| cas-density | 1.007 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C5H11NO2/c1-6(2)5-7-3-4-8-5/h5H,3-4H2,1-2H3 None | Legacy Database |
| cas-inchi-key | InChIKey=MPMQNXVIUFUDEP-UHFFFAOYSA-N None | Legacy Database |
| cas-name | N,N-Dimethyl-1,3-dioxolan-2-amine None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 29.378999999999987 | RDKit |
