Download Structure Data File(SDF/Mol File) 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

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.

Download structure data file (SDF/MOL File)

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.

Ball-and-stick model of N-METHYLANILINE
Ball-and-stick model of N-METHYLANILINE

Additional Information for Identifying N-METHYLANILINE Molecule

  • Chemical structure of N-METHYLANILINE

    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.

  • 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 masses of each constituent element multiplied by the number of atoms of that element.

  • Chemical formula of N-METHYLANILINE

    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:

    InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3

    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:

    InChIKey=AFBPFSWMIHJQDM-UHFFFAOYSA-N

    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-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 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

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Source: Mol-Instincts Chemical Database, Predicted on Quantum.
Please hyperlink "Mol-Instincts" to www.molinstincts.com.