Alkene dioic acid dialkyl ester, reaction products with diamine alkenoic acid alkyl esters (PROVISIONAL) (CHEM008750)

IdentificationTaxonomyBiological PropertiesPhysical PropertiesToxicity ProfileSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2016-05-19 02:51:42 UTC
Update Date2016-11-09 01:13:51 UTC
Accession NumberCHEM008750
Identification
Common NameAlkene dioic acid dialkyl ester, reaction products with diamine alkenoic acid alkyl esters (PROVISIONAL)
ClassSmall Molecule
Description
Contaminant Sources
  • HMDB Contaminants - Urine
  • HPV EPA Chemicals
Contaminant TypeNot Available
Chemical Structure
Thumb
MOLSDF3D-SDFPDBSMILESInChI View 3D Structure
Synonyms
ValueSource
DiamineChEBI
H2NNH2ChEBI
HydrazinChEBI
N2H4ChEBI
Nitrogen hydrideChEBI
Hydrazine dihydrochlorideMeSH
Hydrazine hydrateMeSH
Hydrazine monohydrateMeSH
Hydrazine mononitrateMeSH
Hydrazine nitrateMeSH
Hydrazine phosphate (1:1)MeSH
Hydrazine phosphate (2:1)MeSH
Hydrazine sulfateMeSH
Hydrazine sulfate (1:1) monosodium saltMeSH
Hydrazine sulfate (2:1)MeSH
Hydrazine tartrateMeSH
SegidrinMeSH
AmerzineHMDB
Catalyzed hydrazineHMDB
DiamideHMDB
DiazaneHMDB
HDZHMDB
Hydrazine (anhydrous)HMDB
Hydrazine (hydrazine sulfate)HMDB
Hydrazine (hydrazine sulphate)HMDB
Hydrazine baseHMDB
Hydrazine solutionHMDB
HydrazinesHMDB
HydrazynaHMDB
LevoxineHMDB
Oxytreat 35HMDB
Scav-ox IIHMDB
ZeroxHMDB
Chemical FormulaH4N2
Average Molecular Mass32.045 g/mol
Monoisotopic Mass32.037 g/mol
CAS Registry Number250603
IUPAC Namehydrazine
Traditional Namehydrazine
SMILESNN
InChI IdentifierInChI=1S/H4N2/c1-2/h1-2H2
InChI KeyOAKJQQAXSVQMHS-UHFFFAOYSA-N
Chemical Taxonomy
Description belongs to the class of inorganic compounds known as homogeneous other non-metal compounds. These are inorganic non-metallic compounds in which the largest atom belongs to the class of 'other non-metals'.
KingdomInorganic compounds
Super ClassHomogeneous non-metal compounds
ClassHomogeneous other non-metal compounds
Sub ClassNot Available
Direct ParentHomogeneous other non-metal compounds
Alternative Parents
Substituents
  • Homogeneous other non metal
  • Hydrazine derivative
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
logP-1ChemAxon
pKa (Strongest Basic)5.4ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area52.04 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity10.57 m³·mol⁻¹ChemAxon
Polarizability3.25 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-001i-9000000000-7e6c9f4fe38a72218c48Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, PositiveNot AvailableSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-001i-9000000000-401f7c59e214d2145c6bSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-001i-9000000000-401f7c59e214d2145c6bSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-001i-9000000000-401f7c59e214d2145c6bSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-001i-9000000000-d34c4424b02bfa4ea545Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-001i-9000000000-d34c4424b02bfa4ea545Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-001i-9000000000-d34c4424b02bfa4ea545Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-001i-9000000000-45c21befbfc7d627145cSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-001i-9000000000-45c21befbfc7d627145cSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-001i-9000000000-45c21befbfc7d627145cSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-001i-9000000000-b155ef0ff565a5a1d372Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-001i-9000000000-b155ef0ff565a5a1d372Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-001i-9000000000-b155ef0ff565a5a1d372Spectrum
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 IDHMDB0012973
FooDB IDFDB013394
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc ID4-HYDROXYMETHYLPHENYLHYDRAZINE
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkHydrazine
Chemspider ID8960
ChEBI ID15571
PubChem Compound ID9321
Kegg Compound IDC05361
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available