Home SDF/Mol File 2-tert-Butylaniline

SDF/Mol File of 2-tert-Butylaniline (C10H15N)

Identification of 2-tert-Butylaniline Chemical Compound

2D chemical structure image of 2-tert-Butylaniline
Chemical Formula C10H15N
Molecular Weight 149.2328 g/mol
IUPAC Name 2-tert-butylaniline
SMILES String CC(C)(C)c1ccccc1N
InChI InChI=1S/C10H15N/c1-10(2,3)8-6-4-5-7-9(8)11/h4-7H,11H2,1-3H3
InChIKey AEIOZWYBDBVCGW-UHFFFAOYSA-N

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.

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 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.

Ball-and-stick model of 2-tert-Butylaniline
Ball-and-stick model of 2-tert-Butylaniline

Additional Information for Identifying 2-tert-Butylaniline Molecule

  • Chemical structure of 2-tert-Butylaniline

    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.

  • Molecular weight of 2-tert-Butylaniline

    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.

  • Chemical formula of 2-tert-Butylaniline

    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:

    InChI=1S/C10H15N/c1-10(2,3)8-6-4-5-7-9(8)11/h4-7H,11H2,1-3H3

    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:

    InChIKey=AEIOZWYBDBVCGW-UHFFFAOYSA-N

    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-Butylaniline
    • 6310-21-0
    • 2-(tert-Butyl)aniline
    • 2-tert-Butylphenylamine
    • 2-tert-butyl aniline
    • Benzenamine, 2-(1,1-dimethylethyl)-
    • 2-tert-butyl-phenylamine
    • 2-(1,1-DIMETHYLETHYL)BENZENAMINE
    • 2-(tert-butyl)phenylamine
    • 2-t-Butylaniline
    • Aniline, 2-tert-butyl-
    • 2-tert-Butylaniline, 98%
    • ANW-46735
    • MFCD00130023
    • Benzenamine,2-(1,1-dimethylethyl)-
    • CS-W002406
    • I832
    • Z-4265
    • W-104934
    • I14-92450
    • Z1245633200
    • BBV-46883941
    • T7100181

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

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