Download Structure Data File(SDF/Mol File) of 2-tert-Butylaniline (C10H15N)
Identification of 2-tert-Butylaniline Chemical Compound
|Molecular Weight||149.2328 g/mol|
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of 2-tert-Butylaniline 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 2-tert-Butylaniline 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 2-tert-Butylaniline Molecule
By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of 2-tert-Butylaniline is available in chemical structure page of 2-tert-Butylaniline, 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 2-tert-Butylaniline is available in molecular weight page of 2-tert-Butylaniline, 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 2-tert-Butylaniline is given in chemical formula page of 2-tert-Butylaniline, 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 2-tert-Butylaniline
An alternative way of expressing structural information in text format is InChI. The full standard InChI of 2-tert-Butylaniline is:
It can provide a standard way to encode the molecular information of 2-tert-Butylaniline 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 2-tert-Butylaniline is:
The InChIKey may allow easier web searches for 2-tert-Butylaniline, but it needs to be linked to the full InChI to get back to the original structure of the 2-tert-Butylaniline since the full standard InChI cannot be reconstructed from the InChIKey.
Other names (synonyms) or registry numbers of 2-tert-Butylaniline
The 2-tert-Butylaniline compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of 2-tert-Butylaniline including the registry numbers are listed below, if available:
- 2-tert-butyl aniline
- Benzenamine, 2-(1,1-dimethylethyl)-
- Aniline, 2-tert-butyl-
- 2-tert-Butylaniline, 98%
2-tert-Butylaniline Identification Summary Frequently Asked Questions (FAQs)
What’s the 2-tert-Butylaniline formula?C10H15N
How many atoms and what elements are included in the 2-tert-Butylaniline molecule?26 atom(s) – 15 Hydrogen atom(s), 10 Carbon atom(s) and 1 Nitrogen atom(s)
How many chemical bonds and what kind of bonds are in the 2-tert-Butylaniline structure?26 bond(s) – 11 non-H bond(s), 6 multiple bond(s), 1 rotatable bond(s), 6 aromatic bond(s), 1 six-membered ring(s) and 1 primary amine(s) (aromatic)
What’s the 2-tert-Butylaniline’s molar mass?149.2328 g/mol
What’s the SMILES structure of 2-tert-Butylaniline?CC(C)(C)c1ccccc1N
What’s the InChI code of 2-tert-Butylaniline?InChI=1S/C10H15N/c1-10(2,3)8-6-4-5-7-9(8)11/h4-7H,11H2,1-3H3
What’s the InChIKey format of 2-tert-Butylaniline?AEIOZWYBDBVCGW-UHFFFAOYSA-N