SDF/Mol File of Azidoethane (C2H5N3)
Identification of Azidoethane Chemical Compound
| Chemical Formula | C2H5N3 |
|---|---|
| Molecular Weight | 71.0812 g/mol |
| IUPAC Name | azidoethane |
| SMILES String | CCN=N#N |
| InChI | InChI=1S/C2H5N3/c1-2-4-5-3/h2H2,1H3 |
| InChIKey | UCSVJZQSZZAKLD-UHFFFAOYSA-N |
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of Azidoethane 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 Azidoethane 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.
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Search Another SDF·MOL File
Enter another compound to search for SDF·MOL file:
Input example for Ethanol:
- Name: ethanol
- CAS #: 64-17-5
- Formula: C2H5OH
- Smiles: CCO
- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying Azidoethane Molecule
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Chemical structure of Azidoethane
By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of Azidoethane is available in chemical structure page of Azidoethane, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.
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Molecular weight of Azidoethane
The molecular weight of Azidoethane is available in molecular weight page of Azidoethane, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.
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Chemical formula of Azidoethane
The chemical formula of Azidoethane is given in chemical formula page of Azidoethane, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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InChI (IUPAC International Chemical Identifier) information of Azidoethane
An alternative way of expressing structural information in text format is InChI. The full standard InChI of Azidoethane is:
InChI=1S/C2H5N3/c1-2-4-5-3/h2H2,1H3
It can provide a standard way to encode the molecular information of Azidoethane 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 Azidoethane is:
InChIKey=UCSVJZQSZZAKLD-UHFFFAOYSA-N
The InChIKey may allow easier web searches for Azidoethane, but it needs to be linked to the full InChI to get back to the original structure of the Azidoethane since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of Azidoethane
The Azidoethane compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of Azidoethane including the registry numbers are listed below, if available:
- AR-1H7644
- A844539
- 1-Azidoethane
- CH3CH2NNN
- 871-31-8
- Ethyl azide
- Ethane, azido-
Azidoethane Identification Summary Frequently Asked Questions (FAQs)
| What’s the Azidoethane formula? |
|---|
| C2H5N3 |
| How many atoms and what elements are included in the Azidoethane molecule? |
| 10 atom(s) - 5 Hydrogen atom(s), 2 Carbon atom(s), and 3 Nitrogen atom(s) |
| How many chemical bonds and what kind of bonds are in the Azidoethane structure? |
| 9 bond(s) - 4 non-H bond(s), 2 multiple bond(s), 1 rotatable bond(s), 1 double bond(s), and 1 triple bond(s) |
| What’s the Azidoethane’s molar mass? |
| 71.0812 g/mol |
| What’s the SMILES structure of Azidoethane? |
| CCN=N#N |
| What’s the InChI code of Azidoethane? |
| InChI=1S/C2H5N3/c1-2-4-5-3/h2H2,1H3 |
| What’s the InChIKey format of Azidoethane? |
| UCSVJZQSZZAKLD-UHFFFAOYSA-N |
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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).