Structure & Deep Data of N-METHYLANILINE (C7H9N)

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:

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. Download structure data file (SDF/MOL) file of this compound.

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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:

  • EN300-19055
  • BBV-38790046
  • AR-1H7383
  • Methaniline
  • 1MR
  • Z1258948213
  • F2190-0405
  • J-523671
  • J-000182
  • I01-7676

  • M-5962
  • M0147
  • N-Methylaniline, purum, >=98.0% (GC)
  • CAS-100-61-8
  • N-Methylaniline [UN2294] [Poison]
  • UN 2294
  • N-Methylaniline [UN2294] [Poison]
  • MFCD00008283
  • ANW-75367
  • N-Methylaniline, analytical standard

  • HMS3039I05
  • N-Methylaniline, 98% 100g
  • 2739-12-0 (hydrochloride)
  • TH45GK410O
  • methylaniline(non-specificname)
  • BIDD:GT0230
  • BIDD:ER0250
  • N-Methylaniline, >=99%
  • N-Methyl-N-phenylamine #
  • Benzenenamine, N-methyl-

  • N-Methylaniline, 98%
  • ANILINE,N-METHYL
  • N-methyl-phenyl-amine
  • (methylamino) benzene
  • N-Methylanilinium ion
  • N-Methyl-phenylamine
  • N-methyl-benzenamine
  • N-methyl phenylamine
  • methyl-phenyl amine
  • methyl(phenyl)amine

  • N-methyl-aniline
  • Methylbenzeneamine
  • N-Methylanlne
  • N-Methlaniline
  • N-metylaniline
  • methylamiine
  • N-Methyl-N-phenylamine
  • methyl-phenyl-amine
  • Benzeneamine, N-methyl-
  • Monomethyl aniline

  • Aniline, N-methyl-
  • N-Methylphenylamine
  • Anilinomethane
  • N-Phenylmethylamine
  • (Methylamino)benzene
  • N-Methylaminobenzene
  • Methylphenylamine
  • N-Monomethylaniline
  • N-Methylbenzenamine
  • Benzenamine, N-methyl-

  • N-Methyl aniline
  • Methylaniline
  • Monomethylaniline
  • 100-61-8

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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

568 The contents of this page can freely be shared if cited as follows:
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).