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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,N-dimethylaniline molecule contains a total of 20 bond(s). There are 9 non-H bond(s), 6 multiple bond(s), 1 rotatable bond(s), 6 aromatic bond(s), 1 six-membered ring(s), and 1 tertiary amine(s) (aromatic). Images of the chemical structure of N,N-dimethylaniline are given below:
The 2D chemical structure image of N,N-dimethylaniline is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of N,N-dimethylaniline 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,N-dimethylaniline 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,N-dimethylaniline. Download structure data file (SDF/MOL) file of this compound.
Interactive 3D Visualization
For a better understanding of the chemical structure, an interactive 3D visualization of N,N-dimethylaniline is provided here.
The N,N-dimethylaniline molecule shown in the visualization screen can be rotated interactively by keep clicking and moving the mouse button. Mouse wheel zoom is available as well – the size of the N,N-dimethylaniline molecule can be increased or decreased by scrolling the mouse wheel.
The information of the atoms, bonds, connectivity and coordinates included in the chemical structure of N,N-dimethylaniline can easily be identified by this visualization. By right-clicking the visualization screen, various other options are available including the visualization of van der Waals surface and exporting to an image file.
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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 N,N-dimethylaniline Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of N,N-dimethylaniline
The SMILES string of N,N-dimethylaniline is CN(C)c1ccccc1, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the N,N-dimethylaniline.
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Structure Data File (SDF/MOL File) of N,N-dimethylaniline
The structure data file (SDF/MOL File) of N,N-dimethylaniline is available for download in the SDF page of N,N-dimethylaniline, which provides the information about the atoms, bonds, connectivity and coordinates of N,N-dimethylaniline. The N,N-dimethylaniline structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of N,N-dimethylaniline
The molecular formula of N,N-dimethylaniline is available in chemical formula page of N,N-dimethylaniline, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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Molecular weight of N,N-dimethylaniline
The molecular weight of N,N-dimethylaniline is available in molecular weight page of N,N-dimethylaniline, 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.
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Other names (synonyms) or registry numbers of N,N-dimethylaniline
The N,N-dimethylaniline 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,N-dimethylaniline including the various registry numbers, if available:
- T7100210
- BBV-46883429
- AR-1K2464
- 171745-67-8
- 168153-21-7
- 162744-63-0
- N,N-Dimethylaniline, purified by redistillation, >=99.5%
- F0001-0348
- J-523266
- J-004597
- I14-7135
- N,N-Dimethylaniline, SAJ first grade, >=99.0%
- N,N-Dimethylaniline, for synthesis, 99.5%
- D3866
- D0665
- N,N-Dimethylaniline, ReagentPlus(R), 99%
- N,N-Dimethylaniline [UN2253] [Poison]
- N,N-Dimethylaniline [UN2253] [Poison]
- 58888-49-6 (sulfate[1:1])
- TRA-0205669
- UN 2253
- N,N-Dimethylaniline, 99% 100ml
- MFCD00008304
- METHYL, (METHYLPHENYLAMINO)-
- N,N-Dimethylaniline, LR, >=99%
- N,N-Dimethylaniline [UN2253]
- 35462-54-5 (hydriodide)
- HMDB01020
- 5882-44-0 (hydrochloride)
- N,N-Dimethyl-N-phenylamine #
- BIDD:ER0332
- N,N-Dimethylaniline, 99%
- N,N-dimethyl-Benzenamine
- Dimethylaniline, N-N-
- N,N-dimethyl aniline
- N,N-dirnethylaniline
- N,N-dimethylaniiine
- N,N dimethylaniline
- N,N-dimethylamline
- N,N-Dmethylanlne
- Dimethylphylamine
- dimethyl-aniline
- N,N-dimethylaminobenzene
- N, N-Dimethylaniline
- N-N-Dimethylaniline
- CAS-121-69-7
- dimethyl aniline
- N,N-DIMETHYL-ANILINE
- N,N-Dimethyl-N-phenylamine
- Versneller NL 63110
- NL 63-10P
- Dwumetyloanilina [Polish]
- Dimethylaniline, N,N-
- Dimethyl-phenyl-amine
- Versneller NL 63/10
- Aniline, N,N-dimethyl-
- N,N-dimethylanilin
- Dimethylaminobenzene
- N,N-(Dimethylamino)benzene
- Dwumetyloanilina
- N,N-Dimethylphenylamine
- N,N-Dimethylbenzeneamine
- (Dimethylamino)benzene
- Benzenamine, N,N-dimethyl-
- N,N-Dimethylbenzenamine
- Dimethylphenylamine
- 121-69-7
- Dimethylaniline
N,N-dimethylaniline Identification Summary Frequently Asked Questions (FAQs)
| What’s the chemical formula of N,N-dimethylaniline? |
|---|
| C8H11N |
| How many atoms and what are the elements included the N,N-dimethylaniline molecule? |
| 20 atom(s) - 11 Hydrogen atom(s), 8 Carbon atom(s), and 1 Nitrogen atom(s) |
| How many chemical bonds and what kind of bonds are included the N,N-dimethylaniline structure? |
| 20 bond(s) - 9 non-H bond(s), 6 multiple bond(s), 1 rotatable bond(s), 6 aromatic bond(s), 1 six-membered ring(s), and 1 tertiary amine(s) (aromatic) |
| What’s the N,N-dimethylaniline’s molecular weight? |
| 121.17964 g/mol |
| What’s the SMILES code of N,N-dimethylaniline? |
| CN(C)c1ccccc1 |
| What’s the InChI string of N,N-dimethylaniline? |
| InChI=1S/C8H11N/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3 |
| What’s the InChIKey code of N,N-dimethylaniline? |
| JLTDJTHDQAWBAV-UHFFFAOYSA-N |
