Record Information
Version 1.0
Update Date 1/22/2018 12:54:54 PM
Metabolite IDPAMDB110457
Identification
Name: N2
Description:An elemental molecule consisting of two trivalently-bonded nitrogen atoms.
Structure
Thumb
Synonyms:
  • nitrogen molecule
  • nitrogen
Chemical Formula: N2
Average Molecular Weight: 28.013
Monoisotopic Molecular Weight: 28.0061480104
InChI Key: IJGRMHOSHXDMSA-UHFFFAOYSA-N
InChI: InChI=1S/N2/c1-2
CAS number: 7727-37-9
IUPAC Name:dinitrogen
Traditional IUPAC Name: nitrogen
SMILES:N#N
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of chemical entities 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 Chemical entities
Super ClassInorganic compounds
Class Homogeneous non-metal compounds
Sub ClassOther non-metal organides
Direct Parent Other non-metal nitrides
Alternative Parents
Substituents
  • Other non-metal nitride
  • Inorganic nitride
Molecular Framework Not Available
External Descriptors
Physical Properties
State: Liquid
Charge:0
Melting point: -210.01 °C
Experimental Properties:
PropertyValueReference
Melting Point-210.01 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility18.1 mg/mL at 21 °CNot Available
LogP0.67HANSCH,C ET AL. (1995)
Predicted Properties
PropertyValueSource
logP0.31ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area47.58 Å2ChemAxon
Rotatable Bond Count0ChemAxon
Refractivity26.23 m3·mol-1ChemAxon
Polarizability1.77 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Biological Properties
Cellular Locations: Not Available
Reactions:
Pathways:
Spectra
Spectra:
Spectrum TypeDescriptionSplash Key
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-004i-9000000000-096cae140ae566643e88View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-004i-9000000000-096cae140ae566643e88View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-004i-9000000000-096cae140ae566643e88View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-004i-9000000000-6d8e7ecefdead45cc87dView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-004i-9000000000-6d8e7ecefdead45cc87dView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-004i-9000000000-6d8e7ecefdead45cc87dView in MoNA
MSMass Spectrum (Electron Ionization)splash10-004i-9000000000-6369f2c7b3a3b0e3772cView in MoNA
References
References:
  • Pfreundt U, Stal LJ, Voß B, Hess WR (2012)Dinitrogen fixation in a unicellular chlorophyll d-containing cyanobacterium. The ISME journal 6, Pubmed: 22237545
  • Paungfoo-Lonhienne C, Lonhienne TG, Rentsch D, Robinson N, Christie M, Webb RI, Gamage HK, Carroll BJ, Schenk PM, Schmidt S (2008)Plants can use protein as a nitrogen source without assistance from other organisms. Proceedings of the National Academy of Sciences of the United States of America 105, Pubmed: 18334638
Synthesis Reference: Not Available
Material Safety Data Sheet (MSDS) Download (PDF)
External Links:
ResourceLink
CAS7727-37-9
ChEBI17997
ChemSpider922
HMDBHMDB01371
KEGGC00697
PubChem947