Acethydrazide

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

What is the Acethydrazide?

The molecule Acethydrazide presents a molecular formula of C2H6N2O and its IUPAC name is acetohydrazide.

Acetohydrazide is an organic compound with the molecular formula C2H5N3O. It is a white solid that is soluble in water and insoluble in organic solvents. It is used as a reagent in organic synthesis and as a corrosion inhibitor..

The compound was first reported in 1884 by the German chemist Richard Willstätter. It is prepared by the reaction of acetaldehyde and hydrazine..

Acetohydrazide is a versatile reagent in organic synthesis. It reacts with alkyl halides to give alkyl azides. It also reacts with primary amines to give hydrazides..

The compound has been used as a corrosion inhibitor in aqueous solutions. It is also used as a photographic developer and as a dye intermediate..

Acetohydrazide is a potential carcinogen and should be handled with care..

3D structure

Cartesian coordinates

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

2D drawing

 

Acethydrazide OFLXLNCGODUUOT-UHFFFAOYSA-N chemical compound 2D structure molecule svg
Acethydrazide

 

Molecule descriptors

 
IUPAC nameacetohydrazide
InChI codeInChI=1S/C2H6N2O/c1-2(5)4-3/h3H2,1H3,(H,4,5)
InChI KeyOFLXLNCGODUUOT-UHFFFAOYSA-N
SMILESCC(=O)NN

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.

  • 1068-57-1
  • A0789
  • A801521
  • AB00888
  • AB6005
  • ACETIC ACID, HYDRAZIDE
  • AI3-61241
  • AM20080014
  • AcN2 deriv
  • Acethydrazide
  • Acethydrazide (moist with methylene chloride)
  • Acetic acid hydrazide
  • Acetic hydrazide
  • Acetohydrazide
  • Acetohydrazide-[d3]
  • Acetyl hydrazide
  • Acetyl hydrazine
  • Acetylhydrazine
  • Ald3-H_000034
  • Ald3.1-H_000314
  • Ald3.1-H_000633
  • Ald3.1-H_000952
  • BB 0240991
  • BBL018600
  • BP-30010
  • C07447
  • CCRIS 4791
  • CS-D1403
  • DB-029410
  • EN300-18497
  • ENT-61241
  • Ethanehydrazonic acid
  • FT-0621734
  • GS-3116
  • Hydrazid kyseliny octove
  • Hydrazine, acetyl-
  • J-519529
  • MFCD00007610
  • Monoacetyl hydrazine
  • Monoacetylhydrazine
  • N-Acetylhydrazine
  • NSC 2271
  • NSC 53155
  • NSC-2271
  • NSC-53155
  • NSC2271
  • NSC53155
  • OFLXLNCGODUUOT-UHFFFAOYSA-
  • Q4678005
  • SK0DPC9098
  • STL194154
  • WLN: ZMV1
  • Z58981787
  • acethydrazine
  • acetic acid hydrazone
  • acetohydrazine
  • acetohydrazonic acid
  • ethanoic acid hydrazide
  • ethanoic hydrazide

Reference codes for other databases

There exist several different chemical codes commonly used in orded to identify molecules:
  • ZINC4658577
  • UNII-SK0DPC9098
  • AKOS000104423
  • DTXSID9020900
  • CHEMBL3091859
  • CHEBI:2422
  • CHEBI:48978
  • EINECS 213-948-7

Physico-Chemical properties

IUPAC nameacetohydrazide
Molecular formulaC2H6N2O
Molecular weight74.0818
Melting point (ºC)
Boiling point (ºC)
Density (g/cm3)
Molar refractivity17.44
LogP0.1
Topological polar surface area55.1

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.