Record Information
Version 1.0
Update Date 1/22/2018 11:54:54 AM
Metabolite IDPAMDB110026
Identification
Name: 2-aminoacetaldehyde
Description:An organic cation that is the conjugate acid of aminoacetaldehyde, arising from protonation of the amino group; major species at pH 7.3.
Structure
Thumb
Synonyms:
  • aminoacetaldehyde
Chemical Formula: C2H6NO
Average Molecular Weight: 60.075
Monoisotopic Molecular Weight: 60.0449388199
InChI Key: LYIIBVSRGJSHAV-UHFFFAOYSA-O
InChI: InChI=1S/C2H5NO/c3-1-2-4/h2H,1,3H2/p+1
CAS number: Not Available
IUPAC Name:2-oxoethanaminium
Traditional IUPAC Name: Not Available
SMILES:C([N+])[CH]=O
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of organic compounds known as organonitrogen compounds. These are organic compounds containing a nitrogen atom.
Kingdom Organic compounds
Super ClassOrganic nitrogen compounds
Class Organonitrogen compounds
Sub ClassNot Available
Direct Parent Organonitrogen compounds
Alternative Parents
Substituents
  • Organic oxygen compound
  • Organopnictogen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Organonitrogen compound
  • Carbonyl group
  • Aldehyde
  • Organic cation
  • Aliphatic acyclic compound
Molecular Framework Aliphatic acyclic compounds
External Descriptors Not Available
Physical Properties
State: Not Available
Charge:+1
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
3D Conformer18706033 PubChem
Molecular Weight60.076 g/molPubChem
XLogP3-AA-1.2 PubChem
Hydrogen Bond Donor Count1 PubChem
Hydrogen Bond Acceptor Count1 PubChem
Rotatable Bond Count1 PubChem
Exact Mass60.045 g/molPubChem
Monoisotopic Mass60.045 g/molPubChem
Topological Polar Surface Area44.7 A^2PubChem
Heavy Atom Count4 PubChem
Formal Charge1 PubChem
Complexity20 PubChem
Isotope Atom Count0 PubChem
Defined Atom Stereocenter Count0 PubChem
Undefined Atom Stereocenter Count0 PubChem
Defined Bond Stereocenter Count0 PubChem
Undefined Bond Stereocenter Count0 PubChem
Covalently-Bonded Unit Count1 PubChem
Biological Properties
Cellular Locations: Not Available
Reactions:
Pathways:
Spectra
Spectra: Not Available
References
References: Not Available
Synthesis Reference: Not Available
Material Safety Data Sheet (MSDS) Not Available
External Links:
ResourceLink
ChEBI58213
IAF126048971
KEGGC06735
PubChem18706033