Hydrogen (CHEM004343)

IdentificationTaxonomyBiological PropertiesPhysical PropertiesToxicity ProfileSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2016-05-19 01:41:53 UTC
Update Date2016-11-09 01:09:20 UTC
Accession NumberCHEM004343
Identification
Common NameHydrogen
ClassSmall Molecule
DescriptionAn elemental molecule consisting of two hydrogens joined by a single bond.
Contaminant Sources
  • Clean Air Act Chemicals
  • EAFUS Chemicals
  • FooDB Chemicals
  • HPV EPA Chemicals
  • STOFF IDENT Compounds
Contaminant TypeNot Available
Chemical Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
e 949ChEBI
e-949ChEBI
e949ChEBI
H2ChEBI
Molecular hydrogenChEBI
DihydrogenHMDB
Hydrogen gasHMDB
Hydrogen-1MeSH, HMDB
Hydrogen 1MeSH, HMDB
Chemical FormulaH2
Average Molecular Mass2.016 g/mol
Monoisotopic Mass2.016 g/mol
CAS Registry Number1333-74-0
IUPAC Namedihydrogen
Traditional Namedihydrogen
SMILES[H][H]
InChI IdentifierInChI=1S/H2/h1H
InChI KeyUFHFLCQGNIYNRP-UHFFFAOYSA-N
Chemical Taxonomy
Description belongs to the class of inorganic compounds known as other non-metal hydrides. These are inorganic compounds in which the heaviest atom bonded to a hydrogen atom is belongs to the class of 'other non-metals'.
KingdomInorganic compounds
Super ClassHomogeneous non-metal compounds
ClassOther non-metal organides
Sub ClassOther non-metal hydrides
Direct ParentOther non-metal hydrides
Alternative ParentsNot Available
Substituents
  • Other non-metal hydride
Molecular FrameworkNot Available
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity0 m³·mol⁻¹ChemAxon
Polarizability0.74 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0udi-9000000000-0595c445077141efd7acSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0udi-9000000000-0595c445077141efd7acSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0udi-9000000000-0595c445077141efd7acSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0udi-9000000000-cbcf030cfea82ec88da3Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0udi-9000000000-cbcf030cfea82ec88da3Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0udi-9000000000-cbcf030cfea82ec88da3Spectrum
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)Not Available
Uses/SourcesNot Available
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
DrugBank IDNot Available
HMDB IDHMDB0001362
FooDB IDFDB016247
Phenol Explorer IDNot Available
KNApSAcK IDC00023091
BiGG ID33778
BioCyc IDHYDROGEN-MOLECULE
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkHydrogen
Chemspider ID762
ChEBI ID18276
PubChem Compound ID783
Kegg Compound IDC00282
YMDB IDYMDB16139
ECMDB IDECMDB01362
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
1. https://www.ncbi.nlm.nih.gov/pubmed/?term=15303745
2. https://www.ncbi.nlm.nih.gov/pubmed/?term=16517646
3. https://www.ncbi.nlm.nih.gov/pubmed/?term=18706888
4. https://www.ncbi.nlm.nih.gov/pubmed/?term=19905000
5. https://www.ncbi.nlm.nih.gov/pubmed/?term=19908827
6. https://www.ncbi.nlm.nih.gov/pubmed/?term=20568549
7. https://www.ncbi.nlm.nih.gov/pubmed/?term=24171421
8. Ait-Ichou, I.; Formenti, M.; Pommier, B.; Teichner, S. J. Photocatalytic dehydrogenation of isopropanol on platinum/titania catalysts. Journal of Catalysis (1985), 91(2), 293-307.
9. Ait-Ichou, I.; Formenti, M.; Pommier, B.; Teichner, S. J. Photocatalytic dehydrogenation of isopropanol on platinum/titania catalysts. Journal of Catalysis (1985), 91(2), 293-307.
10. Asadi N, Zilouei H: Optimization of organosolv pretreatment of rice straw for enhanced biohydrogen production using Enterobacter aerogenes. Bioresour Technol. 2017 Mar;227:335-344. doi: 10.1016/j.biortech.2016.12.073. Epub 2016 Dec 23.
11. Dutta D, De D, Chaudhuri S, Bhattacharya SK: Hydrogen production by Cyanobacteria. Microb Cell Fact. 2005 Dec 21;4:36. doi: 10.1186/1475-2859-4-36.