Download Structure Data File(SDF/Mol File) of HEXANAMIDE (C6H13NO)

Identification of HEXANAMIDE Chemical Compound

2D chemical structure image of HEXANAMIDE
Chemical Formula C6H13NO
Molecular Weight 115.17352 g/mol
IUPAC Name hexanamide
SMILES String CCCCCC(N)=O
InChI InChI=1S/C6H13NO/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H2,7,8)
InChIKey ALBYIUDWACNRRB-UHFFFAOYSA-N

Structure Data File (SDF/MOL File) Description

The structure data file (SDF/MOL File) of HEXANAMIDE 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 HEXANAMIDE 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 HEXANAMIDE
Ball-and-stick model of HEXANAMIDE

Additional Information for Identifying HEXANAMIDE Molecule

  • Chemical structure of HEXANAMIDE

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

  • Molecular weight of HEXANAMIDE

    The molecular weight of HEXANAMIDE is available in molecular weight page of HEXANAMIDE, 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 HEXANAMIDE

    The chemical formula of HEXANAMIDE is given in chemical formula page of HEXANAMIDE, 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 HEXANAMIDE

    An alternative way of expressing structural information in text format is InChI. The full standard InChI of HEXANAMIDE is:

    InChI=1S/C6H13NO/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H2,7,8)

    It can provide a standard way to encode the molecular information of HEXANAMIDE 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 HEXANAMIDE is:

    InChIKey=ALBYIUDWACNRRB-UHFFFAOYSA-N

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

  • Other names (synonyms) or registry numbers of HEXANAMIDE

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

    • HEXANAMIDE
    • Capronamide
    • 628-02-4
    • Hexamide
    • Hexylamide
    • n-Caproamide
    • Caproamide
    • n-Hexanamide
    • Hexamide (VAN)
    • Hexanoamide
    • n-Capronamide
    • n-Caproic amide
    • CAS-628-02-4
    • hexaneamide
    • caproic amide
    • hexanoic acid amide
    • Hexanoamide, 98%
    • hexanoic acid, amide
    • R0YX4OJ6TW
    • HMS3039B16
    • 7538AF
    • ANW-34384
    • MFCD00008046
    • RTR-021601
    • I14-91067
    • BBV-36828807
    • C-31246

HEXANAMIDE Identification Summary Frequently Asked Questions (FAQs)

  • What’s the HEXANAMIDE formula?

    C6H13NO
  • How many atoms and what elements are included in the HEXANAMIDE 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 HEXANAMIDE structure?

    20 bond(s) – 7 non-H bond(s), 1 multiple bond(s), 4 rotatable bond(s), 1 double bond(s) and 1 primary amide(s) (aliphatic)
  • What’s the HEXANAMIDE’s molar mass?

    115.17352 g/mol
  • What’s the SMILES structure of HEXANAMIDE?

    CCCCCC(N)=O
  • What’s the InChI code of HEXANAMIDE?

    InChI=1S/C6H13NO/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H2,7,8)
  • What’s the InChIKey format of HEXANAMIDE?

    ALBYIUDWACNRRB-UHFFFAOYSA-N

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