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Dimethylacetamide Dimethyl Acetal
CAS: 18871-66-4 | C6H15NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
18871-66-4
Molecular Formula:
C6H15NO2
Molecular Weight:
133.191 g/mol
Names and Synonyms:
Dimethylacetamide Dimethyl Acetal
1,1-Dimethoxy-N,N-dimethylethan-1-amine
1,1-Dimethoxy-N,N-dimethylethylamine
(1,1-Dimethoxyethyl)dimethylamine
N-(1,1-Dimethoxyethyl)-N,N-dimethylamine
DMF dimethyl acetyl
1-(Dimethylamino)-1,1-dimethoxyethane
Dimethylacetamide dimethyl acetal
N,N-Dimethylacetamide dimethyl acetal
1,1-Dimethoxy-N,N-dimethylethanamine
Ethylamine, 1,1-dimethoxy-N,N-dimethyl-
Acetamide, N,N-dimethyl-, dimethyl acetal
Ethanamine, 1,1-dimethoxy-N,N-dimethyl-
Identifiers:
SMILES:
COC(C)(OC)N(C)C
InChI:
InChI=1S/C6H15NO2/c1-6(8-4,9-5)7(2)3/h1-5H3
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 |
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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.
All Properties
Comprehensive physical and chemical properties
Physical Properties
Property | Value | Source |
---|---|---|
molecular_mass | 133.19 g/mol | Legacy Database |
cas-boiling-point | 118-120 °C None | Legacy Database |
cas-canonical-smile | O(C)C(OC)(N(C)C)C None | Legacy Database |
cas-inchi | InChI=1S/C6H15NO2/c1-6(8-4,9-5)7(2)3/h1-5H3 None | Legacy Database |
cas-inchi-key | InChIKey=FBZVZUSVGKOWHG-UHFFFAOYSA-N None | Legacy Database |
cas-name | Dimethylacetamide dimethyl acetal None | Legacy Database |
LogP | 0.5145 | RDKit |
Molecular
Property | Value | Source |
---|---|---|
Molecular Weight | 133.191 g/mol | RDKit |
Exact
Property | Value | Source |
---|---|---|
Exact Molecular Weight | 133.11027872 g/mol | RDKit |
Heavy
Property | Value | Source |
---|---|---|
Heavy Atom Count | 9 count | RDKit |
Hydrogen
Property | Value | Source |
---|---|---|
Hydrogen Bond Acceptors | 3 count | RDKit |
Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
Property | Value | Source |
---|---|---|
Rotatable Bonds | 3 count | RDKit |
Aromatic
Property | Value | Source |
---|---|---|
Aromatic Ring Count | 0 count | RDKit |
Topological
Property | Value | Source |
---|---|---|
Topological Polar Surface Area | 21.700000000000003 Ų | RDKit |
Molar
Property | Value | Source |
---|---|---|
Molar Refractivity | 36.10999999999999 | RDKit |