Download Structure Data File(SDF/Mol File) of N-tert-Butylacetamide (C6H13NO)
Identification of N-tert-Butylacetamide Chemical Compound
|Molecular Weight||115.17352 g/mol|
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of N-tert-Butylacetamide is available for download. Click the link below to start downloading.
The structure data file (SDF/MOL File) contains the information about the atoms, bonds, connectivity and coordinates of N-tert-Butylacetamide 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.
Additional Information for Identifying N-tert-Butylacetamide Molecule
By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of N-tert-Butylacetamide is available in chemical structure page of N-tert-Butylacetamide, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.
The molecular weight of N-tert-Butylacetamide is available in molecular weight page of N-tert-Butylacetamide, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.
The chemical formula of N-tert-Butylacetamide is given in chemical formula page of N-tert-Butylacetamide, 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-tert-Butylacetamide
An alternative way of expressing structural information in text format is InChI. The full standard InChI of N-tert-Butylacetamide is:
It can provide a standard way to encode the molecular information of N-tert-Butylacetamide 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-tert-Butylacetamide is:
The InChIKey may allow easier web searches for N-tert-Butylacetamide, but it needs to be linked to the full InChI to get back to the original structure of the N-tert-Butylacetamide since the full standard InChI cannot be reconstructed from the InChIKey.
Other names (synonyms) or registry numbers of N-tert-Butylacetamide
The N-tert-Butylacetamide compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of N-tert-Butylacetamide including the registry numbers are listed below, if available:
- Acetamide, N-(1,1-dimethylethyl)-
N-tert-Butylacetamide Identification Summary Frequently Asked Questions (FAQs)
What’s the N-tert-Butylacetamide formula?C6H13NO
How many atoms and what elements are included in the N-tert-Butylacetamide 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-tert-Butylacetamide structure?20 bond(s) – 7 non-H bond(s), 1 multiple bond(s), 1 rotatable bond(s), 1 double bond(s) and 1 secondary amide(s) (aliphatic)
What’s the N-tert-Butylacetamide’s molar mass?115.17352 g/mol
What’s the SMILES structure of N-tert-Butylacetamide?CC(=O)NC(C)(C)C
What’s the InChI code of N-tert-Butylacetamide?InChI=1S/C6H13NO/c1-5(8)7-6(2,3)4/h1-4H3,(H,7,8)
What’s the InChIKey format of N-tert-Butylacetamide?ACYFWRHALJTSCF-UHFFFAOYSA-N