Record Information
Version1.0
Creation Date2016-05-19 03:02:08 UTC
Update Date2016-11-09 01:13:58 UTC
Accession NumberCHEM009290
Identification
Common NameEthanol, 2-hydrazinyl-
ClassSmall Molecule
Description
Contaminant Sources
  • HPV EPA Chemicals
  • ToxCast & Tox21 Chemicals
Contaminant TypeNot Available
Chemical Structure
Thumb
Synonyms
ValueSource
1-(2-Hydroxyethyl)hydrazineChEBI
2-Hydrazinoethyl alcoholChEBI
2-HydroxyethylhydrazineChEBI
beta-HydroxyethylhydrazineChEBI
EthanolhydrazineChEBI
N-(2-Hydroxyethyl)hydrazineChEBI
OmafloraChEBI
b-HydroxyethylhydrazineGenerator
Β-hydroxyethylhydrazineGenerator
2-HydrazinoethanolMeSH
Chemical FormulaC2H8N2O
Average Molecular Mass76.099 g/mol
Monoisotopic Mass76.064 g/mol
CAS Registry Number109-84-2
IUPAC Name2-hydrazinylethan-1-ol
Traditional Name2-hydroxyethylhydrazine
SMILESNNCCO
InChI IdentifierInChI=1S/C2H8N2O/c3-4-1-2-5/h4-5H,1-3H2
InChI KeyGBHCABUWWQUMAJ-UHFFFAOYSA-N
Chemical Taxonomy
Description belongs to the class of organic compounds known as alkanolamines. These are organic compounds that carry a hydroxy and an amino functional groups on an alkane backbone.
KingdomOrganic compounds
Super ClassOrganic nitrogen compounds
ClassOrganonitrogen compounds
Sub ClassAmines
Direct ParentAlkanolamines
Alternative Parents
Substituents
  • Alkylhydrazine
  • Alkanolamine
  • Organic oxygen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Primary alcohol
  • Organooxygen compound
  • Hydrazine derivative
  • Alcohol
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
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
Water Solubility786 g/LALOGPS
logP-1.5ALOGPS
logP-1.5ChemAxon
logS1.01ALOGPS
pKa (Strongest Acidic)15.56ChemAxon
pKa (Strongest Basic)5.34ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area58.28 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity31.19 m³·mol⁻¹ChemAxon
Polarizability8.02 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-004i-9000000000-c21cdda24d20be438974Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0a6s-9000000000-fa1bf3021cf5a8ed2984Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0536-9000000000-5f5185f1e7bc2d7a3518Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-004i-9000000000-43a97009b8cd436523bdSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-056r-9000000000-5a7aec5cebc84546b2b6Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0006-9000000000-e72021924a297421e2ecSpectrum
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 IDNot Available
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkNot Available
Chemspider IDNot Available
ChEBI ID50098
PubChem Compound ID8017
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available