Download Structure Data File(SDF/Mol File) 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

Structure Data File (SDF/MOL File) Description

The structure data file (SDF/MOL File) of N,N-DIETHYLACETAMIDE is available for download. Click the link below to start downloading.

Download structure data file (SDF/MOL File)

The structure data file (SDF/MOL File) contains the information about the atoms, bonds, connectivity and coordinates of N,N-DIETHYLACETAMIDE molecule. It starts with a header block, followed by "connection table“, which describes the structural relationships and properties of the atoms.

The structure data file (SDF/MOL File) available above can be imported to most of the chemistry-related software packages, performing further scientific analysis. Most of the computational software and visualization program require the structural information of the target molecule, and the above structure data file (SDF/MOL File) can be a good option.

Ball-and-stick model of N,N-DIETHYLACETAMIDE
Ball-and-stick model of N,N-DIETHYLACETAMIDE

Additional Information for Identifying N,N-DIETHYLACETAMIDE Molecule

  • Chemical structure of N,N-DIETHYLACETAMIDE

    By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of N,N-DIETHYLACETAMIDE is available in chemical structure page of N,N-DIETHYLACETAMIDE, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

  • Molecular weight of N,N-DIETHYLACETAMIDE

    The molecular weight of N,N-DIETHYLACETAMIDE is available in molecular weight page of N,N-DIETHYLACETAMIDE, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.

  • Chemical formula of N,N-DIETHYLACETAMIDE

    The chemical formula of N,N-DIETHYLACETAMIDE is given in chemical formula page of N,N-DIETHYLACETAMIDE, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

  • InChI (IUPAC International Chemical Identifier) information of N,N-DIETHYLACETAMIDE

    An alternative way of expressing structural information in text format is InChI. The full standard InChI of N,N-DIETHYLACETAMIDE is:

    InChI=1S/C6H13NO/c1-4-7(5-2)6(3)8/h4-5H2,1-3H3

    It can provide a standard way to encode the molecular information of N,N-DIETHYLACETAMIDE to facilitate the search for the compound information in databases and on the web.

    The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of N,N-DIETHYLACETAMIDE is:

    InChIKey=AJFDBNQQDYLMJN-UHFFFAOYSA-N

    The InChIKey may allow easier web searches for N,N-DIETHYLACETAMIDE, but it needs to be linked to the full InChI to get back to the original structure of the N,N-DIETHYLACETAMIDE since the full standard InChI cannot be reconstructed from the InChIKey.

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

    The N,N-DIETHYLACETAMIDE compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of N,N-DIETHYLACETAMIDE including the registry numbers are listed below, if available:

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

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

  • What’s the N,N-DIETHYLACETAMIDE formula?

    C6H13NO
  • How many atoms and what elements are included in 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 in 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 molar mass?

    115.17352 g/mol
  • What’s the SMILES structure of N,N-DIETHYLACETAMIDE?

    CCN(CC)C(C)=O
  • What’s the InChI code of N,N-DIETHYLACETAMIDE?

    InChI=1S/C6H13NO/c1-4-7(5-2)6(3)8/h4-5H2,1-3H3
  • What’s the InChIKey format of N,N-DIETHYLACETAMIDE?

    AJFDBNQQDYLMJN-UHFFFAOYSA-N

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Source: Mol-Instincts Chemical Database, Predicted on Quantum.
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