Showing Compound Diazenedicarboxamide (FDB000784)

Record Information

Version

1.0

Creation date

2010-04-08 22:04:42 UTC

Update date

2015-07-20 21:34:27 UTC

Primary ID

FDB000784

Secondary Accession Numbers

Not Available

Chemical Information

FooDB Name

Diazenedicarboxamide

Description

Diazenedicarboxamide belongs to the class of organic compounds known as azo compounds. These are derivatives of diazene(diimide), HN=NH, wherein both hydrogens are substituted by hydrocarbyl groups, e.g. PhN=NPh azobenzene or diphenyldiazene. Diazenedicarboxamide is an odorless tasting compound. Based on a literature review a small amount of articles have been published on Diazenedicarboxamide.

CAS Number

123-77-3

Structure

MOL SDF PDB SMILES InChI

Synonyms

Show entries

Search:

Synonym	Source
(e)-N-[(C-Hydroxycarbonimidoyl)imino]carbamimidate	Generator
1,1'-Azobis[formamide]	HMDB
1,1'-Azobiscarbamide	HMDB
1,1'-Azodiformamide	HMDB
1,1-Azobisformamide	MeSH, HMDB
AZM 2S	HMDB
Azobis ca 110b	HMDB
Azobis CA 110B	db_source
Azobis ca 51C	HMDB
Azobis CA 51C	db_source

Showing 1 to 10 of 32 entries

Predicted Properties

Property	Value	Source
Water Solubility	0.41 g/L	ALOGPS
logP	-1	ALOGPS
logP	-0.51	ChemAxon
logS	-2.4	ALOGPS
pKa (Strongest Acidic)	3.04	ChemAxon
pKa (Strongest Basic)	1.93	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	112.88 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	45.36 m³·mol⁻¹	ChemAxon
Polarizability	9.48 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Chemical Formula

C2H4N4O2

IUPAC name

(E)-N-[(C-hydroxycarbonimidoyl)imino]carbamimidic acid

InChI Identifier

InChI=1S/C2H4N4O2/c3-1(7)5-6-2(4)8/h(H2,3,7)(H2,4,8)/b6-5+

InChI Key

XOZUGNYVDXMRKW-AATRIKPKSA-N

Isomeric SMILES

OC(=N)\N=N\C(O)=N

Average Molecular Weight

116.0788

Monoisotopic Molecular Weight

116.033425392

Classification

Description

Belongs to the class of organic compounds known as azo compounds. These are derivatives of diazene(diimide), HN=NH, wherein both hydrogens are substituted by hydrocarbyl groups, e.G. PhN=NPh azobenzene or diphenyldiazene.

Kingdom

Organic compounds

Super Class

Organic nitrogen compounds

Class

Organonitrogen compounds

Sub Class

Azo compounds

Direct Parent

Azo compounds

Alternative Parents

Substituents

Azo compound
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Carboximidic acid derivative
Organic oxygen compound
Organopnictogen compound
Hydrocarbon derivative
Organooxygen compound
Imine
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Health effect:

Health condition:

Rhinitis

Respiratory, thoracic and mediastinal disorders:

Cough

Ingestion

Source:

Food

Biological location:

Subcellular:

Cytoplasm

Cell and elements:

Extracellular

Role

Industrial application:

Food and nutrition

Physico-Chemical Properties

Physico-Chemical Properties - Experimental

Show entries

Search:

Property	Value	Reference
Boiling Point	Not Available
Charge	Not Available
Density	Not Available
Experimental logP	-1.70	VERSCHUEREN,K (1996)
Experimental pKa	Not Available
Experimental Water Solubility	0.035 mg/mL at 20 oC	VERSCHUEREN,K (1996)
Isoelectric point	Not Available
Mass Composition	C 20.69%; H 3.47%; N 48.27%; O 27.57%	DFC
Melting Point	Mp 225° (180°)	DFC
Optical Rotation	Not Available

Showing 1 to 10 of 14 entries

Spectra

EI-MS/GC-MS

Type	Description	Splash Key	View
GC-MS	Diazenedicarboxamide, non-derivatized, GC-MS Spectrum	splash10-0006-9000000000-d9507c6601ed8a1597f5	Spectrum
GC-MS	Diazenedicarboxamide, non-derivatized, GC-MS Spectrum	splash10-0006-9000000000-d9507c6601ed8a1597f5	Spectrum
Predicted GC-MS	Diazenedicarboxamide, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive	splash10-0006-9000000000-c307f8e6893df84fd2ce	Spectrum
Predicted GC-MS	Diazenedicarboxamide, 2 TMS, Predicted GC-MS Spectrum - 70eV, Positive	splash10-01b9-4900000000-232f2521a6984367eb01	Spectrum
Predicted GC-MS	Diazenedicarboxamide, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum

MS/MS

Type	Description	Splash Key	View
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-00xr-9600000000-911e5d6523695f11747d	2016-08-01	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-00di-9200000000-05b9dcc86a3c5daa2825	2016-08-01	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0a4i-9000000000-1ccba6e08aa707e5f9d6	2016-08-01	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-00xr-9400000000-94d273da4c163d9188ca	2016-08-03	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0fk9-9000000000-f5939e858def38d57aa3	2016-08-03	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0006-9000000000-25ff1dc3f963a249f5d8	2016-08-03	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0006-9200000000-723f50b9a3b4f67ac2c0	2021-09-24	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0006-9000000000-f2a1ebbed095f8bd6988	2021-09-24	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0006-9000000000-90726b17dc36e29c5299	2021-09-24	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-014l-7900000000-04389a0e6ed5af1cd5ba	2021-09-24	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0006-9000000000-e0c6e70e64689ecbab86	2021-09-24	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-052f-9000000000-c04342d4a4666f27eb47	2021-09-24	View Spectrum

NMR

Not Available

External Links

ChemSpider ID

4575589

ChEMBL ID

CHEMBL28517

KEGG Compound ID

Not Available

Pubchem Compound ID

5462814

Pubchem Substance ID

Not Available

ChEBI ID

Not Available

Phenol-Explorer ID

Not Available

DrugBank ID

Not Available

HMDB ID

HMDB29616

CRC / DFC (Dictionary of Food Compounds) ID

BHG11-N:BHG19-V

EAFUS ID

267

Dr. Duke ID

Not Available

BIGG ID

Not Available

KNApSAcK ID

Not Available

HET ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

Flavornet ID

Not Available

GoodScent ID

rw1040011

SuperScent ID

Not Available

Wikipedia ID

Not Available

Phenol-Explorer Metabolite ID

Not Available

Duplicate IDS

Not Available

Old DFC IDS

Not Available

Associated Foods

Show entries

Search:

Food	Content Range	Average	Reference

No data available in table

Showing 0 to 0 of 0 entries

Biological Effects and Interactions

Health Effects / Bioactivities

Not Available

Enzymes

Not Available

Pathways

Not Available

Metabolism

Not Available

Biosynthesis

Not Available

Organoleptic Properties

Flavours

Show entries

Search:

Showing 1 to 1 of 1 entries

Files

MSDS

Not Available

References

Synthesis Reference

Not Available

General Reference

Not Available

Content Reference

Showing Compound Diazenedicarboxamide (FDB000784)

Structure for FDB000784 (Diazenedicarboxamide)