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Structure & Deep Data of N,N-DIETHYLACETAMIDE (C6H13NO)

Identification of N,N-DIETHYLACETAMIDE Chemical Compound

2D chemical structure image of N,N-DIETHYLACETAMIDE
Chemical Formula C6H13NO
Molecular Weight 115.17352 g/mol
IUPAC Name N,N-diethylacetamide
SMILES String CCN(CC)C(C)=O
InChI InChI=1S/C6H13NO/c1-4-7(5-2)6(3)8/h4-5H2,1-3H3
InChIKey AJFDBNQQDYLMJN-UHFFFAOYSA-N

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The N,N-DIETHYLACETAMIDE molecule contains a total of 20 bond(s). There are 7 non-H bond(s), 1 multiple bond(s), 2 rotatable bond(s), 1 double bond(s), and 1 tertiary amide(s) (aliphatic). Images of the chemical structure of N,N-DIETHYLACETAMIDE are given below:

2D chemical structure image of N,N-DIETHYLACETAMIDE
2-dimensional (2D) chemical structure image of N,N-DIETHYLACETAMIDE
3D chemical structure image of N,N-DIETHYLACETAMIDE
3-dimensional (3D) chemical structure image of N,N-DIETHYLACETAMIDE

The 2D chemical structure image of N,N-DIETHYLACETAMIDE is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of N,N-DIETHYLACETAMIDE are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.

The 3D chemical structure image of N,N-DIETHYLACETAMIDE is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of N,N-DIETHYLACETAMIDE. Download structure data file (SDF/MOL) file of this compound.


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Interactive 3D Visualization

For a better understanding of the chemical structure, an interactive 3D visualization of N,N-DIETHYLACETAMIDE is provided here.

The N,N-DIETHYLACETAMIDE molecule shown in the visualization screen can be rotated interactively by keep clicking and moving the mouse button. Mouse wheel zoom is available as well – the size of the N,N-DIETHYLACETAMIDE molecule can be increased or decreased by scrolling the mouse wheel.

The information of the atoms, bonds, connectivity and coordinates included in the chemical structure of N,N-DIETHYLACETAMIDE can easily be identified by this visualization. By right-clicking the visualization screen, various other options are available including the visualization of van der Waals surface and exporting to an image file.


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  • CAS #: 64-17-5
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  • InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N

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Additional Information for Identifying N,N-DIETHYLACETAMIDE Molecule

  • Other names (synonyms) or registry numbers of N,N-DIETHYLACETAMIDE

    The N,N-DIETHYLACETAMIDE compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of N,N-DIETHYLACETAMIDE including the various registry numbers, if available:

    • EN300-107551
    • BBV-39133310
    • I14-3307
    • D0461
    • P948
    • CAS-685-91-6
    • MFCD00009047
    • ANW-73186
    • 6YO81D7ST6
    • CH3CON(C2H5)2
    • N,N-Diethylacetamide, 97%
    • Acetic acid diethylamide
    • N,N-di ethylacetamide
    • N,N-diethylethanamide
    • N,N-diethylacetoamide
    • N,N-Diaethylacetamid
    • Acetic acid, amide, N,N-diethyl
    • N,N-diethyl-acetamide
    • N,N-Diaethylacetamid [German]
    • N-Acetyldiethylamine
    • Acetamide, N,N-diethyl-
    • Diethylacetamide
    • 685-91-6

N,N-DIETHYLACETAMIDE Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of N,N-DIETHYLACETAMIDE?
C6H13NO
How many atoms and what are the elements included the N,N-DIETHYLACETAMIDE molecule?
21 atom(s) - 13 Hydrogen atom(s), 6 Carbon atom(s), 1 Nitrogen atom(s), and 1 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the N,N-DIETHYLACETAMIDE structure?
20 bond(s) - 7 non-H bond(s), 1 multiple bond(s), 2 rotatable bond(s), 1 double bond(s), and 1 tertiary amide(s) (aliphatic)
What’s the N,N-DIETHYLACETAMIDE’s molecular weight?
115.17352 g/mol
What’s the SMILES code of N,N-DIETHYLACETAMIDE?
CCN(CC)C(C)=O
What’s the InChI string of N,N-DIETHYLACETAMIDE?
InChI=1S/C6H13NO/c1-4-7(5-2)6(3)8/h4-5H2,1-3H3
What’s the InChIKey code of N,N-DIETHYLACETAMIDE?
AJFDBNQQDYLMJN-UHFFFAOYSA-N

98 The contents of this page can freely be shared if cited as follows:
Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).

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