Download Structure Data File(SDF/Mol File) of N-METHYLANILINE (C7H9N)
Identification of N-METHYLANILINE Chemical Compound
|Molecular Weight||107.15306 g/mol|
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of N-METHYLANILINE 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-METHYLANILINE 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-METHYLANILINE Molecule
By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of N-METHYLANILINE is available in chemical structure page of N-METHYLANILINE, 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-METHYLANILINE is available in molecular weight page of N-METHYLANILINE, 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-METHYLANILINE is given in chemical formula page of N-METHYLANILINE, 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-METHYLANILINE
An alternative way of expressing structural information in text format is InChI. The full standard InChI of N-METHYLANILINE is:
It can provide a standard way to encode the molecular information of N-METHYLANILINE 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-METHYLANILINE is:
The InChIKey may allow easier web searches for N-METHYLANILINE, but it needs to be linked to the full InChI to get back to the original structure of the N-METHYLANILINE since the full standard InChI cannot be reconstructed from the InChIKey.
Other names (synonyms) or registry numbers of N-METHYLANILINE
The N-METHYLANILINE compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of N-METHYLANILINE including the registry numbers are listed below, if available:
- N-Methyl aniline
- Benzenamine, N-methyl-
- Aniline, N-methyl-
- Monomethyl aniline
- Benzeneamine, N-methyl-
- methyl-phenyl amine
- N-methyl phenylamine
- N-Methylanilinium ion
- (methylamino) benzene
- N-Methylaniline, 98%
- Benzenenamine, N-methyl-
- N-Methyl-N-phenylamine #
- N-Methylaniline, >=99%
- 2739-12-0 (hydrochloride)
- N-Methylaniline, 98% 100g
- N-Methylaniline, analytical standard
- N-Methylaniline [UN2294] [Poison]
- UN 2294
- N-Methylaniline [UN2294] [Poison]
- N-Methylaniline, purum, >=98.0% (GC)
N-METHYLANILINE Identification Summary Frequently Asked Questions (FAQs)
What’s the N-METHYLANILINE formula?C7H9N
How many atoms and what elements are included in the N-METHYLANILINE molecule?17 atom(s) – 9 Hydrogen atom(s), 7 Carbon atom(s) and 1 Nitrogen atom(s)
How many chemical bonds and what kind of bonds are in the N-METHYLANILINE structure?17 bond(s) – 8 non-H bond(s), 6 multiple bond(s), 1 rotatable bond(s), 6 aromatic bond(s), 1 six-membered ring(s) and 1 secondary amine(s) (aromatic)
What’s the N-METHYLANILINE’s molar mass?107.15306 g/mol
What’s the SMILES structure of N-METHYLANILINE?CNc1ccccc1
What’s the InChI code of N-METHYLANILINE?InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3
What’s the InChIKey format of N-METHYLANILINE?AFBPFSWMIHJQDM-UHFFFAOYSA-N