A summary of the most common chemical descriptors (InChI Key and SMILES codes) for Dimethylformamide are summarized together with 3D and 2D structures and relevant physico-chemical properties.
Table of Contents
What is the Dimethylformamide?
The molecule Dimethylformamide presents a molecular formula of C3H7NO and its IUPAC name is dimethylformamide.
Dimethylformamide is a clear liquid with a slightly sweet taste and a faint ammonia-like odor. It is miscible with water and many organic solvents. Dimethylformamide is used as a solvent in the production of many synthetic fibers and as a extraction solvent for oils and fats. It is also used as a paint stripper, as a cleaning fluid for metals and as a degreaser..
The chemical structure of dimethylformamide consists of a central carbon atom bonded to two hydrogen atoms and a nitrogen atom. The nitrogen atom has a double bond to the central carbon atom and a single bond to a methyl group. The formula for dimethylformamide is CH3NO..
Dimethylformamide is a polar solvent. This means that it can dissolve both polar and nonpolar substances. The polarity of a solvent is determined by the type of atoms that make up the molecule. In dimethylformamide, the central carbon atom is bonded to a hydrogen atom, a nitrogen atom, and a methyl group. The nitrogen atom has a double bond to the central carbon atom. This gives the molecule a dipole moment, which makes it polar..
The polarity of a solvent affects the solubility of different substances. Polar solvents are able to dissolve polar substances, while nonpolar solvents can dissolve both polar and nonpolar substances. Dimethylformamide is a polar solvent and can dissolve both polar and nonpolar substances..
The boiling point of dimethylformamide is 153 degrees Celsius. The freezing point is -59 degrees Celsius. Dimethylformamide has a density of 0.93 grams per cubic centimeter..
Dimethylformamide is produced by the reaction of dimethylamine and formaldehyde. Dimethylamine is produced by the reaction of ammonia and methyl chloride. Formaldehyde is produced by the oxidation of methanol..
The production of dimethylformamide begins with the production of dimethylamine. Dimethylamine is produced by the reaction of ammonia and methyl chloride..
Ammonia is produced by the Haber-Bosch process. This process uses nitrogen gas and hydrogen gas to produce ammonia. Methyl chloride is produced by the chlorination of methane..
The next step in the production of dimethylformamide is the production of formaldehyde. Formaldehyde is produced by the oxidation of methanol. Methanol is produced by the catalytic hydrogenation of carbon dioxide..
The final step in the production of dimethylformamide is the reaction of dimethylamine and formaldehyde. This reaction produces dimethylformamide and water..
Dimethylformamide is used as a solvent in the production of many synthetic fibers. It is also used as a extraction solvent for oils and fats. Dimethylformamide is also used as a paint stripper, as a cleaning fluid for metals, and as a degreaser..
Geometry of Dimethylformamide in x, y and z coordinates (Å units) to copy/paste elsewhere. Generated with Open Babel software.
Other names (synonyms)
IUPAC nomenclature provides a standardized method for naming chemical compounds. Although this system is widely used in chemistry, many chemical compounds have also other names commonly used in different contexts. These synonyms can come from a variety of sources and are used for a variety of purposes.
One common source of synonyms for chemical compounds is the common or trivial names, assigned on the basis of appearance, properties, or origin of the molecule.
Another source of synonyms are historical or obsolete names employed in the past, however replaced nowadays by more modern or standardized names.
In addition to common and historical names, chemical compounds may also have synonyms that are specific to a particular field or industry.
Reference codes for other databasesThere exist several different chemical codes commonly used in orded to identify molecules:
- CAS number (Chemical Abstracts Service Registry Number) is a unique identifier is assigned to every chemical compound indexed in the CAS database.
- Beilstein: The Beilstein database is a comprehensive source of information on organic chemistry, including information on chemical structures, properties, and reactions. The Beilstein database assigns unique identifiers which can be used to identify compounds in scientific literature and other sources.
- ChEBI (Chemical Entities of Biological Interest): ChEBI is a database of small chemical molecules that are of interest in the field of biology.
- PubChem CID (Compound Identifier): PubChem is a database of chemical compounds that is maintained by the National Institutes of Health (NIH).
- RTECS number (Registry of Toxic Effects of Chemical Substances): The RTECS is a database of information on the toxic effects of chemicals, including information on their structures and properties.
- ChEMBL (Compound Bioactivity Data): ChEMBL is a database of bioactivity data for small molecules, including information on their properties and structures.
- CompTox Dashboard (Environmental Protection Agency): The CompTox Dashboard is a database of information on the toxicology and environmental effects of chemicals.
|Melting point (ºC)||-61|
|Boiling point (ºC)||153|
|Topological polar surface area||20.2|
LogP and topological polar surface area (TPSA) values were estimated using Open Babel software.
The n-octanol/water partition coeficient (Kow) data is applied in toxicology and drug research. Kow values are used, to guess the environmental fate of persistent organic pollutants. High partition coefficients values, tend to accumulate in the fatty tissue of organisms. Molecules with a log(Kow) (or LogP) greater than 5 are considered to bioaccumulate.
TPSA values are the sum of the surface area over all polar atoms or molecules, mainly oxygen and nitrogen, also including hydrogen atoms.
In medicinal chemistry, TPSA is used to assess the ability of a drug to permeabilise cells.
For molecules to penetrate the blood-brain barrier (and act on receptors in the central nervous system), TPSA values below 90 Å2 are required. Thus, molecules with a polar surface area greater than 140 Å2 tend to be poorly permeable to cell membranes.