SDF/Mol File of N,2'-Dimethylformanilide (C9H11NO)
Identification of N,2'-Dimethylformanilide Chemical Compound
| Chemical Formula | C9H11NO |
|---|---|
| Molecular Weight | 149.18974 g/mol |
| IUPAC Name | N-methyl-N-(2-methylphenyl)formamide |
| SMILES String | CN(C=O)c1ccccc1C |
| InChI | InChI=1S/C9H11NO/c1-8-5-3-4-6-9(8)10(2)7-11/h3-7H,1-2H3 |
| InChIKey | WWWSJNJIEHCOSE-UHFFFAOYSA-N |
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of N,2'-Dimethylformanilide 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,2'-Dimethylformanilide 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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- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying N,2'-Dimethylformanilide Molecule
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Chemical structure of N,2'-Dimethylformanilide
By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of N,2'-Dimethylformanilide is available in chemical structure page of N,2'-Dimethylformanilide, 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,2'-Dimethylformanilide
The molecular weight of N,2'-Dimethylformanilide is available in molecular weight page of N,2'-Dimethylformanilide, 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,2'-Dimethylformanilide
The chemical formula of N,2'-Dimethylformanilide is given in chemical formula page of N,2'-Dimethylformanilide, 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,2'-Dimethylformanilide
An alternative way of expressing structural information in text format is InChI. The full standard InChI of N,2'-Dimethylformanilide is:
InChI=1S/C9H11NO/c1-8-5-3-4-6-9(8)10(2)7-11/h3-7H,1-2H3
It can provide a standard way to encode the molecular information of N,2'-Dimethylformanilide 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,2'-Dimethylformanilide is:
InChIKey=WWWSJNJIEHCOSE-UHFFFAOYSA-N
The InChIKey may allow easier web searches for N,2'-Dimethylformanilide, but it needs to be linked to the full InChI to get back to the original structure of the N,2'-Dimethylformanilide since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of N,2'-Dimethylformanilide
The N,2'-Dimethylformanilide compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of N,2'-Dimethylformanilide including the registry numbers are listed below, if available:
- D3368
- MFCD09038514
- ANW-19391
- N,2 -DIMETHYLFORMANILIDE
- N-Methyl-N-(o-tolyl)formamide
- 131840-54-5
- N,2'-Dimethylformanilide
N,2'-Dimethylformanilide Identification Summary Frequently Asked Questions (FAQs)
| What’s the N,2'-Dimethylformanilide formula? |
|---|
| C9H11NO |
| How many atoms and what elements are included in the N,2'-Dimethylformanilide molecule? |
| 22 atom(s) - 11 Hydrogen atom(s), 9 Carbon atom(s), 1 Nitrogen atom(s), and 1 Oxygen atom(s) |
| How many chemical bonds and what kind of bonds are in the N,2'-Dimethylformanilide structure? |
| 22 bond(s) - 11 non-H bond(s), 7 multiple bond(s), 1 rotatable bond(s), 1 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), and 1 tertiary amide(s) (aliphatic) |
| What’s the N,2'-Dimethylformanilide’s molar mass? |
| 149.18974 g/mol |
| What’s the SMILES structure of N,2'-Dimethylformanilide? |
| CN(C=O)c1ccccc1C |
| What’s the InChI code of N,2'-Dimethylformanilide? |
| InChI=1S/C9H11NO/c1-8-5-3-4-6-9(8)10(2)7-11/h3-7H,1-2H3 |
| What’s the InChIKey format of N,2'-Dimethylformanilide? |
| WWWSJNJIEHCOSE-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).