5-methylphenazine-1-carboxylic acid betaine (PAMDB110788)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes Transporters
Proteins (3280)
Record Information
Version 1.0
Update Date 1/22/2018 11:54:54 AM
Metabolite IDPAMDB110788
Identification
Name: 5-methylphenazine-1-carboxylic acid betaine
Description:Not Available
Structure
Thumb
🔍MOLSDFPDBSMILESInChIView Structure
Synonyms:Not Available
Chemical Formula: C14H11N2O2
Average Molecular Weight: 239.25
Monoisotopic Molecular Weight: 239.0820526077
InChI Key: Not Available
InChI:Not Available
CAS number: Not Available
IUPAC Name:Not Available
Traditional IUPAC Name: Not Available
SMILES:C(O)(=O)c1(cccc3(c1nc2(C=CC=Cc2[n+]3C)))
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of organic compounds known as phenazines and derivatives. These are polycyclic aromatic compounds containing a phenazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a pyrazine ring.
Kingdom Organic compounds
Super ClassOrganoheterocyclic compounds
Class Diazanaphthalenes
Sub ClassBenzodiazines
Direct Parent Phenazines and derivatives
Alternative Parents
Substituents
  • Phenazine
  • Pyrazine
  • Benzenoid
  • Pyrazinium
  • Heteroaromatic compound
  • Carboxylic acid derivative
  • Carboxylic acid
  • Azacycle
  • Organic nitrogen compound
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Organooxygen compound
  • Organonitrogen compound
  • Organic cation
  • Aromatic heteropolycyclic compound
Molecular Framework Aromatic heteropolycyclic compounds
External Descriptors Not Available
Physical Properties
State: Not Available
Charge:Not Available
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
Mass239.2486ChemAxon
logP1.9107ChemAxon
H-bond acceptors4ChemAxon
H-bond donors1ChemAxon
Rotatable bonds1ChemAxon
PSA54.0700ChemAxon
RO5 violations0ChemAxon
RO3 violations1ChemAxon
Refractivity69.7993ChemAxon
Atoms29ChemAxon
Rings3ChemAxon
Heavy atoms18ChemAxon
Hydrogen atoms11ChemAxon
Heteroatoms4ChemAxon
N/O atoms4ChemAxon
Inorganic atoms0ChemAxon
Halogen atoms0ChemAxon
Chiral centers0ChemAxon
R/S chiral centers0ChemAxon
Unknown chiral centers0ChemAxon
Undefined chiral centers0ChemAxon
Stereo double bonds0ChemAxon
Cis/trans stereo double bonds0ChemAxon
Unknown stereo double bonds0ChemAxon
Undefined stereo double bonds 0ChemAxon
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
PseudoCycCPDB-5671