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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 Mass
- 117.15 g/mol
Identifiers
CAS Registry Number
19449-26-4
SMILES
CN(C)C1OCCO1
InChI Key
MPMQNXVIUFUDEP-UHFFFAOYSA-N
InChI
InChI=1S/C5H11NO2/c1-6(2)5-7-3-4-8-5/h5H,3-4H2,1-2H3
Names and Synonyms
- N,N-Dimethyl-1,3-Dioxolan-2-Amine Systematic Name
- 1,3-Dioxolan-2-amine, N,N-dimethyl- Synonym
- N,N-Dimethyl-1,3-dioxolan-2-amine Synonym
- Dimethylformamide cyclic ethylene acetal Synonym
- NSC 119918 Synonym
- N,N-Dimethylformamide ethylene acetal Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 117.15 g/mol | CAS Common Chemistry |
| 117.148 g/mol | RDKit | |
| Density | 1.01 g/cm³ | CAS Common Chemistry |
| 1.007 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Boiling Point | 142-144 °C | CAS Common Chemistry |
| Canonical SMILES | O1CCOC1N(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C5H11NO2/c1-6(2)5-7-3-4-8-5/h5H,3-4H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=MPMQNXVIUFUDEP-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N,N-Dimethyl-1,3-dioxolan-2-amine | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 21.700000000000003 Ų | RDKit |
| 21.7 Ų | RDKit | |
| 21.47 Ų | chempirical lib | |
| LogP | -0.12160000000000015 | RDKit |
| -0.1216 | RDKit | |
| Molar Refractivity | 29.378999999999987 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 117.078978592 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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 |
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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
Related
Related molecules
Other compounds with formula C5H11NO2.
