Home Chemical Structure N-METHYLANILINE

Chemical Structure of N-METHYLANILINE (C7H9N)

Identification of N-METHYLANILINE Chemical Compound

2D chemical structure image of N-METHYLANILINE
Chemical Formula C7H9N
Molecular Weight 107.15306 g/mol
IUPAC Name N-methylaniline
SMILES String CNc1ccccc1
InChI InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3
InChIKey AFBPFSWMIHJQDM-UHFFFAOYSA-N

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The N-METHYLANILINE molecule contains a total of 17 bond(s). There are 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).
Images of the chemical structure of N-METHYLANILINE are given below:

2D chemical structure image of N-METHYLANILINE
2-dimensional (2D) chemical structure image of N-METHYLANILINE
3D chemical structure image of N-METHYLANILINE
3-dimensional (3D) chemical structure image of N-METHYLANILINE

The 2D chemical structure image of N-METHYLANILINE is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of N-METHYLANILINE are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.

The 3D chemical structure image of N-METHYLANILINE is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of N-METHYLANILINE.


An Interactive 3-dimensional (3D) Visualization of N-METHYLANILINE

For a better understanding of the chemical structure, an interactive 3D visualization of N-METHYLANILINE is provided here.

The N-METHYLANILINE molecule shown in the visualization screen can be rotated interactively by keep clicking and moving the mouse button. Mouse wheel zoom is available as well – the size of the N-METHYLANILINE molecule can be increased or decreased by scrolling the mouse wheel.

The information of the atoms, bonds, connectivity and coordinates included in the chemical structure of N-METHYLANILINE can easily be identified by this visualization. By right-clicking the visualization screen, various other options are available including the visualization of van der Waals surface and exporting to a image file.


Additional Information for Identifying N-METHYLANILINE Molecule

  • SMILES (Simplified Molecular-Input Line-Entry System) string of N-METHYLANILINE

    The SMILES string of N-METHYLANILINE is CNc1ccccc1, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the N-METHYLANILINE.

  • Structure Data File (SDF/MOL File) of N-METHYLANILINE

    The structure data file (SDF/MOL File) of N-METHYLANILINE is available for download in the SDF page of N-METHYLANILINE, which provides the information about the atoms, bonds, connectivity and coordinates of N-METHYLANILINE. The N-METHYLANILINE structure data file can be imported to most of the cheminformatics software systems and applications.

  • Chemical formula of N-METHYLANILINE

    The molecular formula of N-METHYLANILINE is available 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.

  • Molecular weight of N-METHYLANILINE

    The molecular weight of N-METHYLANILINE is available in molecular weight page of N-METHYLANILINE, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.

  • Other names (synonyms) or registry numbers of N-METHYLANILINE

    The N-METHYLANILINE compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of N-METHYLANILINE including the various registry numbers, if available:

    • N-METHYLANILINE
    • 100-61-8
    • Monomethylaniline
    • Methylaniline
    • N-Methyl aniline
    • Benzenamine, N-methyl-
    • N-Methylbenzenamine
    • N-Monomethylaniline
    • Methylphenylamine
    • N-Methylaminobenzene
    • (Methylamino)benzene
    • N-Phenylmethylamine
    • Anilinomethane
    • N-Methylphenylamine
    • Aniline, N-methyl-
    • Monomethyl aniline
    • Benzeneamine, N-methyl-
    • methyl-phenyl-amine
    • N-Methyl-N-phenylamine
    • methylamiine
    • N-metylaniline
    • N-Methlaniline
    • N-Methylanlne
    • Methylbenzeneamine
    • N-methyl-aniline
    • methyl(phenyl)amine
    • methyl-phenyl amine
    • N-methyl phenylamine
    • N-methyl-benzenamine
    • N-Methyl-phenylamine
    • N-Methylanilinium ion
    • (methylamino) benzene
    • N-methyl-phenyl-amine
    • ANILINE,N-METHYL
    • N-Methylaniline, 98%
    • Benzenenamine, N-methyl-
    • N-Methyl-N-phenylamine #
    • N-Methylaniline, >=99%
    • BIDD:ER0250
    • BIDD:GT0230
    • methylaniline(non-specificname)
    • TH45GK410O
    • 2739-12-0 (hydrochloride)
    • N-Methylaniline, 98% 100g
    • HMS3039I05
    • N-Methylaniline, analytical standard
    • ANW-75367
    • MFCD00008283
    • N-Methylaniline [UN2294] [Poison]
    • UN 2294
    • N-Methylaniline [UN2294] [Poison]
    • CAS-100-61-8
    • N-Methylaniline, purum, >=98.0% (GC)
    • M0147
    • M-5962
    • I01-7676
    • J-000182
    • J-523671
    • F2190-0405
    • Z1258948213
    • 1MR
    • Methaniline
    • AR-1H7383
    • BBV-38790046
    • EN300-19055

N-METHYLANILINE Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of N-METHYLANILINE?
C7H9N
How many atoms and what are the elements included 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 included 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 molecular weight?
107.15306 g/mol
What’s the SMILES code of N-METHYLANILINE?
CNc1ccccc1
What’s the InChI string of N-METHYLANILINE?
InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3
What’s the InChIKey code of N-METHYLANILINE?
AFBPFSWMIHJQDM-UHFFFAOYSA-N

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Source: Mol-Instincts Chemical Database, Predicted on Quantum.
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