ContaminantDB: NITROGEN

Identification Taxonomy Biological Properties Physical Properties Toxicity Profile Spectra Concentrations Links References XML

Record Information

Version

1.0

Creation Date

2016-05-19 02:18:53 UTC

Update Date

2026-05-14 19:03:00 UTC

Accession Number

CHEM006883

Identification

Common Name

NITROGEN

Class

Small Molecule

Description

An elemental molecule consisting of two trivalently-bonded nitrogen atoms.

Contaminant Sources

EAFUS Chemicals
FooDB Chemicals
HPV EPA Chemicals

Contaminant Type

Human Neurotoxin

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Molecular nitrogen	ChEBI
N2	ChEBI
N#N	ChEBI
Nitrogen	ChEBI
Dinitrogen	HMDB
Nitrogen gas	HMDB

Chemical Formula

N₂

Average Molecular Mass

28.013 g/mol

Monoisotopic Mass

28.006 g/mol

CAS Registry Number

7727-37-9

IUPAC Name

dinitrogen

Traditional Name

nitrogen

SMILES

N#N

InChI Identifier

InChI=1S/N2/c1-2

InChI Key

IJGRMHOSHXDMSA-UHFFFAOYSA-N

Chemical Taxonomy

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

Inorganic nitrides

Substituents

Other non-metal nitride
Inorganic nitride

Molecular Framework

Not Available

External Descriptors

diatomic nitrogen (CHEBI:17997 )
elemental molecule (CHEBI:17997 )
a non-metabolic compound (NITROGEN-MOLECULE )

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Property	Value	Source
logP	0.31	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	47.58 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	26.23 m³·mol⁻¹	ChemAxon
Polarizability	1.77 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	1	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	View
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-004i-9000000000-900558b878d696839ddd	Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-004i-9000000000-096cae140ae566643e88	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-004i-9000000000-096cae140ae566643e88	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-004i-9000000000-096cae140ae566643e88	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-004i-9000000000-6d8e7ecefdead45cc87d	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-004i-9000000000-6d8e7ecefdead45cc87d	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9000000000-6d8e7ecefdead45cc87d	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-004i-9000000000-1fb6bb5f9fe3af7d141e	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-004i-9000000000-1fb6bb5f9fe3af7d141e	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-004i-9000000000-1fb6bb5f9fe3af7d141e	Spectrum
MS	Mass Spectrum (Electron Ionization)	splash10-004i-9000000000-6369f2c7b3a3b0e3772c	Spectrum

Toxicity Profile

Route of Exposure

Not Available

Mechanism of Toxicity

Not Available

Metabolism

Not Available

Toxicity Values

Not Available

Lethal Dose

Not Available

Carcinogenicity (IARC Classification)

Not Available

Uses/Sources

Not Available

Minimum Risk Level

Not Available

Health Effects

Not Available

Symptoms

Not Available

Treatment

Not Available

Concentrations

Not Available

External Links

DrugBank ID

Not Available

HMDB ID

Not Available

FooDB ID

Not Available

Phenol Explorer ID

Not Available

KNApSAcK ID

Not Available

BiGG ID

Not Available

BioCyc ID

NITROGEN-MOLECULE

METLIN ID

Not Available

PDB ID

Not Available

Wikipedia Link

Nitrogen

Chemspider ID

Not Available

ChEBI ID

17997

PubChem Compound ID

947

Kegg Compound ID

C00697

YMDB ID

Not Available

ECMDB ID

Not Available

References

Synthesis Reference

Not Available

MSDS

Not Available

General References

1. https://www.ncbi.nlm.nih.gov/pubmed/?term=18334638

2. https://www.ncbi.nlm.nih.gov/pubmed/?term=22237545

NITROGEN (CHEM006883)

Structure for CHEM006883: NITROGEN