SDF/Mol File of 4'-Dimethylaminoacetanilide (C10H14N2O)
Identification of 4'-Dimethylaminoacetanilide Chemical Compound
| Chemical Formula | C10H14N2O |
|---|---|
| Molecular Weight | 178.23096 g/mol |
| IUPAC Name | N-[4-(dimethylamino)phenyl]acetamide |
| SMILES String | CN(C)c1ccc(NC(C)=O)cc1 |
| InChI | InChI=1S/C10H14N2O/c1-8(13)11-9-4-6-10(7-5-9)12(2)3/h4-7H,1-3H3,(H,11,13) |
| InChIKey | XZEJXEZIWLTFJR-UHFFFAOYSA-N |
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of 4'-Dimethylaminoacetanilide 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 4'-Dimethylaminoacetanilide 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 4'-Dimethylaminoacetanilide Molecule
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Chemical structure of 4'-Dimethylaminoacetanilide
By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of 4'-Dimethylaminoacetanilide is available in chemical structure page of 4'-Dimethylaminoacetanilide, 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 4'-Dimethylaminoacetanilide
The molecular weight of 4'-Dimethylaminoacetanilide is available in molecular weight page of 4'-Dimethylaminoacetanilide, 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 4'-Dimethylaminoacetanilide
The chemical formula of 4'-Dimethylaminoacetanilide is given in chemical formula page of 4'-Dimethylaminoacetanilide, 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 4'-Dimethylaminoacetanilide
An alternative way of expressing structural information in text format is InChI. The full standard InChI of 4'-Dimethylaminoacetanilide is:
InChI=1S/C10H14N2O/c1-8(13)11-9-4-6-10(7-5-9)12(2)3/h4-7H,1-3H3,(H,11,13)
It can provide a standard way to encode the molecular information of 4'-Dimethylaminoacetanilide 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 4'-Dimethylaminoacetanilide is:
InChIKey=XZEJXEZIWLTFJR-UHFFFAOYSA-N
The InChIKey may allow easier web searches for 4'-Dimethylaminoacetanilide, but it needs to be linked to the full InChI to get back to the original structure of the 4'-Dimethylaminoacetanilide since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of 4'-Dimethylaminoacetanilide
The 4'-Dimethylaminoacetanilide compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of 4'-Dimethylaminoacetanilide including the registry numbers are listed below, if available:
- AR-1K4098
- AE-641/00559043
- N-acetyl-N',N'-dimethyl-1,4-phenylenediamine
- N,N-Dimethyl-4-(acetylamino)aniline
- N-(4-dimethylaminophenyl)acetamide
- P-DIMETHYLAMINOACETANILIDE
- 4-acetamido-N,N-dimethylaniline
- Acetamide, N-[4-(dimethylamino)phenyl]-
- N-(4-(Dimethylamino)phenyl)acetamide
- Acetamide, N-(4-(dimethylamino)phenyl)-
- 7463-28-7
- 4'-Dimethylaminoacetanilide
4'-Dimethylaminoacetanilide Identification Summary Frequently Asked Questions (FAQs)
| What’s the 4'-Dimethylaminoacetanilide formula? |
|---|
| C10H14N2O |
| How many atoms and what elements are included in the 4'-Dimethylaminoacetanilide molecule? |
| 27 atom(s) - 14 Hydrogen atom(s), 10 Carbon atom(s), 2 Nitrogen atom(s), and 1 Oxygen atom(s) |
| How many chemical bonds and what kind of bonds are in the 4'-Dimethylaminoacetanilide structure? |
| 27 bond(s) - 13 non-H bond(s), 7 multiple bond(s), 2 rotatable bond(s), 1 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 1 secondary amide(s) (aliphatic), and 1 tertiary amine(s) (aromatic) |
| What’s the 4'-Dimethylaminoacetanilide’s molar mass? |
| 178.23096 g/mol |
| What’s the SMILES structure of 4'-Dimethylaminoacetanilide? |
| CN(C)c1ccc(NC(C)=O)cc1 |
| What’s the InChI code of 4'-Dimethylaminoacetanilide? |
| InChI=1S/C10H14N2O/c1-8(13)11-9-4-6-10(7-5-9)12(2)3/h4-7H,1-3H3,(H,11,13) |
| What’s the InChIKey format of 4'-Dimethylaminoacetanilide? |
| XZEJXEZIWLTFJR-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).