NH4OH

A summary of the most common chemical descriptors (InChI Key and SMILES codes) for NH4OH are summarized together with 3D and 2D structures and relevant physico-chemical properties.

What is the NH4OH?

The molecule NH4OH presents a molecular formula of H5NO and its IUPAC name is azanium; hydroxide.

Ammonia is a molecule with the chemical formula NH3. It is a colorless gas with a strong odor. Ammonia is a very important molecule in the chemical industry. It is used to make fertilizers, explosives, and many other products..

Ammonia is made by the Haber-Bosch process, which combines nitrogen and hydrogen to make ammonia. The Haber-Bosch process is very energy intensive, and it is responsible for about 1% of the world's energy consumption..

Ammonia is a very dangerous molecule. It is highly explosive and corrosive. Ammonia is also toxic to humans and animals. Exposure to high concentrations of ammonia can cause respiratory problems, skin irritation, and blindness..

3D structure

Cartesian coordinates

Geometry of NH4OH in x, y and z coordinates (Å units) to copy/paste elsewhere. Generated with Open Babel software.

2D drawing

 

NH4OH VHUUQVKOLVNVRT-UHFFFAOYSA-N chemical compound 2D structure molecule svg
NH4OH

 

Molecule descriptors

 
IUPAC nameazanium; hydroxide
InChI codeInChI=1S/H3N.H2O/h1H3;1H2
InChI KeyVHUUQVKOLVNVRT-UHFFFAOYSA-N
SMILES[NH4+].[OH-]

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 databases

There exist several different chemical codes commonly used in orded to identify molecules:

Physico-Chemical properties

IUPAC nameazanium; hydroxide
Molecular formulaH5NO
Molecular weight35.05
Melting point (ºC)-60
Boiling point (ºC)38-100
Density (g/cm3) -
Molar refractivity
LogP-
Topological polar surface area2.0

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.