Structure & Deep Data of Methyl 2-(3,4-dichlorophenyl)-2-(ethylamino)acetate (C11H13Cl2NO2)
Identification of Methyl 2-(3,4-dichlorophenyl)-2-(ethylamino)acetate Chemical Compound
Chemical Formula | C11H13Cl2NO2 |
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Molecular Weight | 262.13242 g/mol |
IUPAC Name | methyl 2-(3,4-dichlorophenyl)-2-(ethylamino)acetate |
SMILES String | CCNC(C(=O)OC)c1ccc(Cl)c(Cl)c1 |
InChI | InChI=1S/C11H13Cl2NO2/c1-3-14-10(11(15)16-2)7-4-5-8(12)9(13)6-7/h4-6,10,14H,3H2,1-2H3 |
InChIKey | CXXMNMWYBYENPL-UHFFFAOYSA-N |
Chemical Structure Description
A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The methyl 2-(3,4-dichlorophenyl)-2-(ethylamino)acetate molecule contains a total of 29 bond(s). There are 16 non-H bond(s), 7 multiple bond(s), 5 rotatable bond(s), 1 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 1 ester(s) (aliphatic), and 1 secondary amine(s) (aliphatic). Images of the chemical structure of methyl 2-(3,4-dichlorophenyl)-2-(ethylamino)acetate are given below:
The 2D chemical structure image of methyl 2-(3,4-dichlorophenyl)-2-(ethylamino)acetate is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of methyl 2-(3,4-dichlorophenyl)-2-(ethylamino)acetate 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 methyl 2-(3,4-dichlorophenyl)-2-(ethylamino)acetate 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 methyl 2-(3,4-dichlorophenyl)-2-(ethylamino)acetate. 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 methyl 2-(3,4-dichlorophenyl)-2-(ethylamino)acetate is provided here.
The methyl 2-(3,4-dichlorophenyl)-2-(ethylamino)acetate 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 methyl 2-(3,4-dichlorophenyl)-2-(ethylamino)acetate 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 methyl 2-(3,4-dichlorophenyl)-2-(ethylamino)acetate 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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Additional Information for Identifying Methyl 2-(3,4-dichlorophenyl)-2-(ethylamino)acetate Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of methyl 2-(3,4-dichlorophenyl)-2-(ethylamino)acetate
The SMILES string of methyl 2-(3,4-dichlorophenyl)-2-(ethylamino)acetate is CCNC(C(=O)OC)c1ccc(Cl)c(Cl)c1, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the methyl 2-(3,4-dichlorophenyl)-2-(ethylamino)acetate.
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Structure Data File (SDF/MOL File) of methyl 2-(3,4-dichlorophenyl)-2-(ethylamino)acetate
The structure data file (SDF/MOL File) of methyl 2-(3,4-dichlorophenyl)-2-(ethylamino)acetate is available for download in the SDF page of methyl 2-(3,4-dichlorophenyl)-2-(ethylamino)acetate, which provides the information about the atoms, bonds, connectivity and coordinates of methyl 2-(3,4-dichlorophenyl)-2-(ethylamino)acetate. The methyl 2-(3,4-dichlorophenyl)-2-(ethylamino)acetate structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of methyl 2-(3,4-dichlorophenyl)-2-(ethylamino)acetate
The molecular formula of methyl 2-(3,4-dichlorophenyl)-2-(ethylamino)acetate is available in chemical formula page of methyl 2-(3,4-dichlorophenyl)-2-(ethylamino)acetate, 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 methyl 2-(3,4-dichlorophenyl)-2-(ethylamino)acetate
The molecular weight of methyl 2-(3,4-dichlorophenyl)-2-(ethylamino)acetate is available in molecular weight page of methyl 2-(3,4-dichlorophenyl)-2-(ethylamino)acetate, 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 methyl 2-(3,4-dichlorophenyl)-2-(ethylamino)acetate
The methyl 2-(3,4-dichlorophenyl)-2-(ethylamino)acetate compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of methyl 2-(3,4-dichlorophenyl)-2-(ethylamino)acetate including the various registry numbers, if available:
None available.
Methyl 2-(3,4-dichlorophenyl)-2-(ethylamino)acetate Identification Summary Frequently Asked Questions (FAQs)
What’s the chemical formula of methyl 2-(3,4-dichlorophenyl)-2-(ethylamino)acetate? |
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C11H13Cl2NO2 |
How many atoms and what are the elements included the methyl 2-(3,4-dichlorophenyl)-2-(ethylamino)acetate molecule? |
29 atom(s) - 13 Hydrogen atom(s), 11 Carbon atom(s), 1 Nitrogen atom(s), 2 Oxygen atom(s), and 2 Chlorine atom(s) |
How many chemical bonds and what kind of bonds are included the methyl 2-(3,4-dichlorophenyl)-2-(ethylamino)acetate structure? |
29 bond(s) - 16 non-H bond(s), 7 multiple bond(s), 5 rotatable bond(s), 1 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 1 ester(s) (aliphatic), and 1 secondary amine(s) (aliphatic) |
What’s the methyl 2-(3,4-dichlorophenyl)-2-(ethylamino)acetate’s molecular weight? |
262.13242 g/mol |
What’s the SMILES code of methyl 2-(3,4-dichlorophenyl)-2-(ethylamino)acetate? |
CCNC(C(=O)OC)c1ccc(Cl)c(Cl)c1 |
What’s the InChI string of methyl 2-(3,4-dichlorophenyl)-2-(ethylamino)acetate? |
InChI=1S/C11H13Cl2NO2/c1-3-14-10(11(15)16-2)7-4-5-8(12)9(13)6-7/h4-6,10,14H,3H2,1-2H3 |
What’s the InChIKey code of methyl 2-(3,4-dichlorophenyl)-2-(ethylamino)acetate? |
CXXMNMWYBYENPL-UHFFFAOYSA-N |
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Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN
technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).