SDF/Mol File of N,N'-Bis(2,6-diisopropylphenyl)ethylenediamine (C26H40N2)
Identification of N,N'-Bis(2,6-diisopropylphenyl)ethylenediamine Chemical Compound
Chemical Formula | C26H40N2 |
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Molecular Weight | 380.6092 g/mol |
IUPAC Name | N-(2-{[2,6-bis(propan-2-yl)phenyl]amino}ethyl)-2,6-bis(propan-2-yl)aniline |
SMILES String | CC(C)c1cccc(C(C)C)c1NCCNc2c(cccc2C(C)C)C(C)C |
InChI | InChI=1S/C26H40N2/c1-17(2)21-11-9-12-22(18(3)4)25(21)27-15-16-28-26-23(19(5)6)13-10-14-24(26)20(7)8/h9-14,17-20,27-28H,15-16H2,1-8H3 |
InChIKey | RVMDHNMIJJBYQG-UHFFFAOYSA-N |
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of N,N'-Bis(2,6-diisopropylphenyl)ethylenediamine 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,N'-Bis(2,6-diisopropylphenyl)ethylenediamine 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.
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- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying N,N'-Bis(2,6-diisopropylphenyl)ethylenediamine Molecule
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Chemical structure of N,N'-Bis(2,6-diisopropylphenyl)ethylenediamine
By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of N,N'-Bis(2,6-diisopropylphenyl)ethylenediamine is available in chemical structure page of N,N'-Bis(2,6-diisopropylphenyl)ethylenediamine, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.
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Molecular weight of N,N'-Bis(2,6-diisopropylphenyl)ethylenediamine
The molecular weight of N,N'-Bis(2,6-diisopropylphenyl)ethylenediamine is available in molecular weight page of N,N'-Bis(2,6-diisopropylphenyl)ethylenediamine, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.
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Chemical formula of N,N'-Bis(2,6-diisopropylphenyl)ethylenediamine
The chemical formula of N,N'-Bis(2,6-diisopropylphenyl)ethylenediamine is given in chemical formula page of N,N'-Bis(2,6-diisopropylphenyl)ethylenediamine, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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InChI (IUPAC International Chemical Identifier) information of N,N'-Bis(2,6-diisopropylphenyl)ethylenediamine
An alternative way of expressing structural information in text format is InChI. The full standard InChI of N,N'-Bis(2,6-diisopropylphenyl)ethylenediamine is:
InChI=1S/C26H40N2/c1-17(2)21-11-9-12-22(18(3)4)25(21)27-15-16-28-26-23(19(5)6)13-10-14-24(26)20(7)8/h9-14,17-20,27-28H,15-16H2,1-8H3
It can provide a standard way to encode the molecular information of N,N'-Bis(2,6-diisopropylphenyl)ethylenediamine 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,N'-Bis(2,6-diisopropylphenyl)ethylenediamine is:
InChIKey=RVMDHNMIJJBYQG-UHFFFAOYSA-N
The InChIKey may allow easier web searches for N,N'-Bis(2,6-diisopropylphenyl)ethylenediamine, but it needs to be linked to the full InChI to get back to the original structure of the N,N'-Bis(2,6-diisopropylphenyl)ethylenediamine since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of N,N'-Bis(2,6-diisopropylphenyl)ethylenediamine
The N,N'-Bis(2,6-diisopropylphenyl)ethylenediamine compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of N,N'-Bis(2,6-diisopropylphenyl)ethylenediamine including the registry numbers are listed below, if available:
- N,N inverted exclamation marka-Bis(2,6-diisopropylphenyl)ethylenediamine
- N,N inverted exclamation marka-Bis(2,6-diisopropylphenyl)-1,2-ethanediamine
- N~1~,N~2~-Bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diamine
- N-(2-(2,6-diisopropylphenylamino)ethyl)-2,6-diisopropylbenzenamine
- N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diamine
- N,N'-Bis(2,6-diisopropylphenyl)ethylenediamine, 95%
- J-006470
- I14-8402
- A18164
- N,N'-Ethylenebis(2,6-diisopropylaniline)
- MFCD10000903
- ANW-60574
- 6153AA
- C26H40N2
- N,N-Bis ethylenediamine
- N1,N2-Bis(2,6-diisopropylphenyl)ethane-1,2-diamine
- N,N'-Bis(2,6-diisopropylphenyl)ethylenediamine
- 134030-22-1
N,N'-Bis(2,6-diisopropylphenyl)ethylenediamine Identification Summary Frequently Asked Questions (FAQs)
What’s the N,N'-Bis(2,6-diisopropylphenyl)ethylenediamine formula? |
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C26H40N2 |
How many atoms and what elements are included in the N,N'-Bis(2,6-diisopropylphenyl)ethylenediamine molecule? |
68 atom(s) - 40 Hydrogen atom(s), 26 Carbon atom(s), and 2 Nitrogen atom(s) |
How many chemical bonds and what kind of bonds are in the N,N'-Bis(2,6-diisopropylphenyl)ethylenediamine structure? |
69 bond(s) - 29 non-H bond(s), 12 multiple bond(s), 9 rotatable bond(s), 12 aromatic bond(s), 2 six-membered ring(s), and 2 secondary amine(s) (aromatic) |
What’s the N,N'-Bis(2,6-diisopropylphenyl)ethylenediamine’s molar mass? |
380.6092 g/mol |
What’s the SMILES structure of N,N'-Bis(2,6-diisopropylphenyl)ethylenediamine? |
CC(C)c1cccc(C(C)C)c1NCCNc2c(cccc2C(C)C)C(C)C |
What’s the InChI code of N,N'-Bis(2,6-diisopropylphenyl)ethylenediamine? |
InChI=1S/C26H40N2/c1-17(2)21-11-9-12-22(18(3)4)25(21)27-15-16-28-26-23(19(5)6)13-10-14-24(26)20(7)8/h9-14,17-20,27-28H,15-16H2,1-8H3 |
What’s the InChIKey format of N,N'-Bis(2,6-diisopropylphenyl)ethylenediamine? |
RVMDHNMIJJBYQG-UHFFFAOYSA-N |
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commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).