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SDF/Mol File of N2,N3-Di-tert-butylbutane-2,3-diamine (C12H28N2)

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2D chemical structure image of N2,N3-Di-tert-butylbutane-2,3-diamine
Chemical Formula C12H28N2
Molecular Weight 200.36412 g/mol
IUPAC Name tert-butyl[3-(tert-butylamino)butan-2-yl]amine
SMILES String CC(NC(C)(C)C)C(C)NC(C)(C)C
InChI InChI=1S/C12H28N2/c1-9(13-11(3,4)5)10(2)14-12(6,7)8/h9-10,13-14H,1-8H3
InChIKey KEPBYALUNVNGRN-UHFFFAOYSA-N
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Structure Data File (SDF/MOL File) Description

The structure data file (SDF/MOL File) of N2,N3-Di-tert-butylbutane-2,3-diamine 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 N2,N3-Di-tert-butylbutane-2,3-diamine 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.

3D chemical structure image of N2,N3-Di-tert-butylbutane-2,3-diamine
Ball-and-stick model of N2,N3-Di-tert-butylbutane-2,3-diamine

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Input a chemical compound consisting of C, H, N, O, S, F, Cl, Br, I, Si, P, and/or As atom(s)

Input example for Ethanol:

  • Name: ethanol
  • CAS #: 64-17-5
  • Formula: C2H5OH
  • Smiles: CCO
  • InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
  • InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N

Additional Information for Identifying N2,N3-Di-tert-butylbutane-2,3-diamine Molecule

  • Chemical structure of N2,N3-Di-tert-butylbutane-2,3-diamine

    By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of N2,N3-Di-tert-butylbutane-2,3-diamine is available in chemical structure page of N2,N3-Di-tert-butylbutane-2,3-diamine, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

  • Molecular weight of N2,N3-Di-tert-butylbutane-2,3-diamine

    The molecular weight of N2,N3-Di-tert-butylbutane-2,3-diamine is available in molecular weight page of N2,N3-Di-tert-butylbutane-2,3-diamine, 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 N2,N3-Di-tert-butylbutane-2,3-diamine

    The chemical formula of N2,N3-Di-tert-butylbutane-2,3-diamine is given in chemical formula page of N2,N3-Di-tert-butylbutane-2,3-diamine, 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 N2,N3-Di-tert-butylbutane-2,3-diamine

    An alternative way of expressing structural information in text format is InChI. The full standard InChI of N2,N3-Di-tert-butylbutane-2,3-diamine is:

    InChI=1S/C12H28N2/c1-9(13-11(3,4)5)10(2)14-12(6,7)8/h9-10,13-14H,1-8H3

    It can provide a standard way to encode the molecular information of N2,N3-Di-tert-butylbutane-2,3-diamine 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 N2,N3-Di-tert-butylbutane-2,3-diamine is:

    InChIKey=KEPBYALUNVNGRN-UHFFFAOYSA-N

    The InChIKey may allow easier web searches for N2,N3-Di-tert-butylbutane-2,3-diamine, but it needs to be linked to the full InChI to get back to the original structure of the N2,N3-Di-tert-butylbutane-2,3-diamine since the full standard InChI cannot be reconstructed from the InChIKey.

  • Other names (synonyms) or registry numbers of N2,N3-Di-tert-butylbutane-2,3-diamine

    The N2,N3-Di-tert-butylbutane-2,3-diamine compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of N2,N3-Di-tert-butylbutane-2,3-diamine including the registry numbers are listed below, if available:

    • N,N'-DI-T-BUTYL-2,3-DIAMINOBUTANE, 98%
    • N~2~,N~3~-Di-tert-butylbutane-2,3-diamine
    • N,N'-Di-t-butyl-2,3-diaminobutane
    • MFCD18827623
    • 1167987-07-6
    • N2,N3-Di-tert-butylbutane-2,3-diamine

N2,N3-Di-tert-butylbutane-2,3-diamine Identification Summary Frequently Asked Questions (FAQs)

What’s the N2,N3-Di-tert-butylbutane-2,3-diamine formula?
C12H28N2
How many atoms and what elements are included in the N2,N3-Di-tert-butylbutane-2,3-diamine molecule?
42 atom(s) - 28 Hydrogen atom(s), 12 Carbon atom(s), and 2 Nitrogen atom(s)
How many chemical bonds and what kind of bonds are in the N2,N3-Di-tert-butylbutane-2,3-diamine structure?
41 bond(s) - 13 non-H bond(s), 5 rotatable bond(s), and 2 secondary amine(s) (aliphatic)
What’s the N2,N3-Di-tert-butylbutane-2,3-diamine’s molar mass?
200.36412 g/mol
What’s the SMILES structure of N2,N3-Di-tert-butylbutane-2,3-diamine?
CC(NC(C)(C)C)C(C)NC(C)(C)C
What’s the InChI code of N2,N3-Di-tert-butylbutane-2,3-diamine?
InChI=1S/C12H28N2/c1-9(13-11(3,4)5)10(2)14-12(6,7)8/h9-10,13-14H,1-8H3
What’s the InChIKey format of N2,N3-Di-tert-butylbutane-2,3-diamine?
KEPBYALUNVNGRN-UHFFFAOYSA-N