Showing Compound Nitrous oxide (FDB014561)

Record Information

Version

1.0

Creation date

2010-04-08 22:11:20 UTC

Update date

2015-07-20 23:08:56 UTC

Primary ID

FDB014561

Secondary Accession Numbers

Not Available

Chemical Information

FooDB Name

Nitrous oxide

Description

Nitrous oxide, also known as N2O or diazyne 1-oxide, belongs to the class of inorganic compounds known as other non-metal nitrides. These are inorganic compounds of nitrogen where nitrogen has a formal oxidation state of -3, and the heaviest atom bonded to it belongs to the class of 'other non-metals'. Nitrous oxide exists in all living organisms, ranging from bacteria to humans. Nitrous oxide is an odorless tasting compound. Based on a literature review a significant number of articles have been published on Nitrous oxide.

CAS Number

10024-97-2

Structure

MOL SDF PDB SMILES InChI

Synonyms

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Showing 1 to 10 of 39 entries

Predicted Properties

Property	Value	Source
logP	-0.021	ChemAxon
pKa (Strongest Basic)	-6.8	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	54.46 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	27.67 m³·mol⁻¹	ChemAxon
Polarizability	2.54 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

N2O

IUPAC name

diazooxidane

InChI Identifier

InChI=1S/N2O/c1-2-3

InChI Key

GQPLMRYTRLFLPF-UHFFFAOYSA-N

Isomeric SMILES

[O-][N+]#N

Average Molecular Weight

44.0128

Monoisotopic Molecular Weight

44.001062632

Classification

Description

Belongs to the class of inorganic compounds known as other non-metal nitrides. These are inorganic compounds of nitrogen where nitrogen has a formal oxidation state of -3, and the heaviest atom bonded to it belongs to the class of 'other non-metals'.

Kingdom

Inorganic compounds

Super Class

Homogeneous non-metal compounds

Class

Other non-metal organides

Sub Class

Other non-metal nitrides

Direct Parent

Other non-metal nitrides

Alternative Parents

Substituents

Other non-metal nitride
Inorganic nitride
Inorganic oxide

Molecular Framework

Not Available

External Descriptors

nitrogen oxide (CHEBI:17045 )
a non-metabolic compound (NITROUS-OXIDE )

Ontology

Disposition

Source:

Food

Biological location:

Subcellular:

Cytoplasm

Cell and elements:

Extracellular

Role

Environmental role:

Greenhouse gas

Industrial application:

Food and nutrition:

Raising agent

Pharmaceutical industry:

Biological role:

Nutrient

Physico-Chemical Properties

Physico-Chemical Properties - Experimental

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Property	Value	Reference
Boiling Point	Bp -88.5°	DFC
Charge	Not Available
Density	Not Available
Experimental logP	0.36	HANSCH,C ET AL. (1995)
Experimental pKa	Not Available
Experimental Water Solubility	Not Available
Isoelectric point	Not Available
Mass Composition	N 63.65%; O 36.35%	DFC
Melting Point	Mp -90.6°	DFC
Optical Rotation	Not Available

Showing 1 to 10 of 14 entries

Spectra

EI-MS/GC-MS

Type	Description	Splash Key	View
Predicted GC-MS	Nitrous oxide, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive	splash10-0006-9000000000-eb7b02e9ea0e132b0a58	Spectrum
Predicted GC-MS	Nitrous oxide, 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	splash10-0002-9000000000-2eee7435817186856ef7	2015-09-15	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-001j-9000000000-d1a5381e3dd214cad7ab	2015-09-15	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-000t-9000000000-3ae2e01e3d626729760b	2015-09-15	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-004l-9000000000-c53ff0d270e0310b3375	2015-09-15	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-004i-9000000000-c8b9d8f80d3f41ad7f54	2015-09-15	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-002f-9000000000-12c3fe456373daff732e	2015-09-15	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0002-9000000000-f78d84fc2eb278e7bb4d	2021-09-25	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0002-9000000000-f78d84fc2eb278e7bb4d	2021-09-25	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0002-9000000000-f78d84fc2eb278e7bb4d	2021-09-25	View Spectrum