Download Structure Data File(SDF/Mol File) of Methyl ethylcarbamate (C4H9NO2)

Identification of Methyl ethylcarbamate Chemical Compound

2D chemical structure image of Methyl ethylcarbamate
Chemical Formula C4H9NO2
Molecular Weight 103.11976 g/mol
IUPAC Name methyl N-ethylcarbamate
SMILES String CCNC(=O)OC
InChI InChI=1S/C4H9NO2/c1-3-5-4(6)7-2/h3H2,1-2H3,(H,5,6)
InChIKey AEARPZNULDFPNQ-UHFFFAOYSA-N

Structure Data File (SDF/MOL File) Description

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

Additional Information for Identifying Methyl ethylcarbamate Molecule

  • Chemical structure of Methyl ethylcarbamate

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

  • Molecular weight of Methyl ethylcarbamate

    The molecular weight of Methyl ethylcarbamate is available in molecular weight page of Methyl ethylcarbamate, 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 Methyl ethylcarbamate

    The chemical formula of Methyl ethylcarbamate is given in chemical formula page of Methyl ethylcarbamate, 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 Methyl ethylcarbamate

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

    InChI=1S/C4H9NO2/c1-3-5-4(6)7-2/h3H2,1-2H3,(H,5,6)

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

    InChIKey=AEARPZNULDFPNQ-UHFFFAOYSA-N

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

  • Other names (synonyms) or registry numbers of Methyl ethylcarbamate

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

    • Methyl ethylcarbamate
    • methyl N-ethylcarbamate
    • 6135-31-5
    • Carbamic acid, ethyl-, methyl ester
    • ETHYL-CARBAMIC ACID METHYL ESTER
    • MEC
    • N-carbomethoxyethylamine
    • METHYLN-ETHYLCARBAMATE
    • Ethylcarbamic acid methyl ester
    • Carbamic acid,N-ethyl-, methyl ester
    • I14-112153

Methyl ethylcarbamate Identification Summary Frequently Asked Questions (FAQs)

  • What’s the Methyl ethylcarbamate formula?

    C4H9NO2
  • How many atoms and what elements are included in the Methyl ethylcarbamate molecule?

    16 atom(s) – 9 Hydrogen atom(s), 4 Carbon atom(s), 1 Nitrogen atom(s) and 2 Oxygen atom(s)
  • How many chemical bonds and what kind of bonds are in the Methyl ethylcarbamate structure?

    15 bond(s) – 6 non-H bond(s), 1 multiple bond(s), 2 rotatable bond(s), 1 double bond(s) and 1 (thio-) carbamate(s) (aliphatic)
  • What’s the Methyl ethylcarbamate’s molar mass?

    103.11976 g/mol
  • What’s the SMILES structure of Methyl ethylcarbamate?

    CCNC(=O)OC
  • What’s the InChI code of Methyl ethylcarbamate?

    InChI=1S/C4H9NO2/c1-3-5-4(6)7-2/h3H2,1-2H3,(H,5,6)
  • What’s the InChIKey format of Methyl ethylcarbamate?

    AEARPZNULDFPNQ-UHFFFAOYSA-N

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Source: Mol-Instincts Chemical Database, Predicted on Quantum.
Please hyperlink "Mol-Instincts" to www.molinstincts.com.