3-(N-morpholino)propanal (PAMDB120048)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes Transporters
Proteins (3280)
Record Information
Version 1.0
Update Date 1/22/2018 11:54:54 AM
Metabolite IDPAMDB120048
Identification
Name: 3-(N-morpholino)propanal
Description:Not Available
Structure
Thumb
🔍MOLSDFPDBSMILESInChIView Structure
Synonyms:
  • 3-morpholinopropanal
Chemical Formula: C7H13NO2
Average Molecular Weight: 143.185
Monoisotopic Molecular Weight: 143.09464
InChI Key: BNWZAKSMZYYVBQ-UHFFFAOYSA-N
InChI:InChI=1S/C7H13NO2/c9-5-1-2-8-3-6-10-7-4-8/h5H,1-4,6-7H2
CAS number: Not Available
IUPAC Name:Not Available
Traditional IUPAC Name: Not Available
SMILES:C(C=O)CN1(CCOCC1)
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of organic compounds known as morpholines. These are organic compounds containing a morpholine moiety, which consists of a six-member aliphatic saturated ring with the formula C4H9NO, where the oxygen and nitrogen atoms lie at positions 1 and 4, respectively.
Kingdom Organic compounds
Super ClassOrganoheterocyclic compounds
Class Oxazinanes
Sub ClassMorpholines
Direct Parent Morpholines
Alternative Parents
Substituents
  • Morpholine
  • Alpha-hydrogen aldehyde
  • Tertiary amine
  • Tertiary aliphatic amine
  • Dialkyl ether
  • Ether
  • Oxacycle
  • Azacycle
  • Aldehyde
  • Hydrocarbon derivative
  • Organooxygen compound
  • Organonitrogen compound
  • Organic oxide
  • Organopnictogen compound
  • Organic oxygen compound
  • Carbonyl group
  • Amine
  • Organic nitrogen compound
  • Aliphatic heteromonocyclic compound
Molecular Framework Aliphatic heteromonocyclic compounds
External Descriptors Not Available
Physical Properties
State: Not Available
Charge:0
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
Molecular Weight143.186 g/molPubChem
XLogP3-AA-0.7 PubChem
Hydrogen Bond Donor Count0 PubChem
Hydrogen Bond Acceptor Count3 PubChem
Rotatable Bond Count3 PubChem
Exact Mass143.095 g/molPubChem
Monoisotopic Mass143.095 g/molPubChem
Topological Polar Surface Area29.5 A^2PubChem
Heavy Atom Count10 PubChem
Formal Charge0 PubChem
Complexity99.8 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:
3-(N-morpholino)propanesulfonate + FMNH(2) + Oxygen → 3-(N-morpholino)propanal + Sulfite + Water + FMN + Hydrogen ion
Pathways:
    Spectra
    Spectra: Not Available
    References
    References: Not Available
    Synthesis Reference: Not Available
    Material Safety Data Sheet (MSDS) Not Available
    External Links:
    ResourceLink
    PUBCHEM11105482