Not Available
Record Information
Version1.0
Created at2020-04-27 16:52:17 UTC
Updated at2021-01-04 18:49:14 UTC
CannabisDB IDCDB005753
Secondary Accession NumbersNot Available
Cannabis Compound Identification
Common Name1-Azido naphthalene
Description1-Azidonaphthalene or naphthyl azide is an azide derivative of naphthalene in which the azide functional group positioned at C-1 of naphthalene. 1-Azidonaphthalene belongs to the class of organic compounds known as naphthalenes. Naphthalenes are compounds containing a naphthalene moiety, which consists of two fused benzene rings.1-Azidonaphthalene is one of several structural isomers of azidonaphthalene wherein the azide group is substituted at different positions of naphthalene. 1-Azidonaphthalene is a neutral, hydrophobic molecule that is insoluble in water. It is an inhibitor of the NAD-dependent protein deacetylase sirtuin-2 (SIRT2). 1-Azidonaphthalene is a constituent of marijuana (cannabis) smoke and is formed during the combustion of cannabis ( Ref:DOI ).
Structure
Thumb
SynonymsNot Available
Chemical FormulaC10H7N3
Average Molecular Weight169.19
Monoisotopic Molecular Weight169.064
IUPAC Name1-azidonaphthalene
Traditional Name1-azidonaphthalene
CAS Registry Number6921-40-0
SMILES
[N-]=[N+]=NC1=CC=CC2=CC=CC=C12
InChI Identifier
InChI=1S/C10H7N3/c11-13-12-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
InChI KeyHYISGPFBRUIUNB-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as naphthalenes. Naphthalenes are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
KingdomOrganic compounds
Super ClassBenzenoids
ClassNaphthalenes
Sub ClassNot Available
Direct ParentNaphthalenes
Alternative Parents
Substituents
  • Naphthalene
  • Azo imide
  • Azo compound
  • Organic nitrogen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Organonitrogen compound
  • Aromatic homopolycyclic compound
Molecular FrameworkAromatic homopolycyclic compounds
External DescriptorsNot Available
Ontology
Not Available
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
logPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP3.3ALOGPS
logP3.38ChemAxon
logS-3.1ALOGPS
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area29.43 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity52.8 m³·mol⁻¹ChemAxon
Polarizability17.36 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Spectra
Pathways
Pathways
Protein Targets
EnzymesNot Available
TransportersNot Available
Metal BindingsNot Available
ReceptorsNot Available
Transcriptional FactorsNot Available
Concentrations Data
Not Available
HMDB IDNot Available
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID109855
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound123242
PDB IDNot Available
ChEBI IDNot Available
References
General ReferencesNot Available