Julolidine - ≥97%(GC)(T) , CAS No.479-59-4

CAS: 479-59-4 Cat. No.: J157725 Molecular Weight: 173.26 Beilstein Registry Number: 20(5)7,189 EC Number: 207-535-0

GRADE & PURITY ≥97%(GC)(T)

Synonyms

1-azatricyclo[7.3.1.0,5,13]trideca-5,7,9(13)-triene | InChI=1/C12H15N/c1-4-10-6-2-8-13-9-3-7-11(5-1)12(10)13/h1,4-5H,2-3,6-9H | MFCD00006917 | NSC 82354 | Julolidine | 2,3,6,7-Tetrahydro-1H,5H-benzo[i,j]quinolizine | 8ERL3KJ6GQ | NCGC00188119-03 | AC-1175

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

1-azatricyclo[7.3.1.0, 5, 13]trideca-5, 7, 9(13)-triene | InChI=1/C12H15N/c1-4-10-6-2-8-13-9-3-7-11(5-1)12(10)13/h1, 4-5H, 2-3, 6-9H | MFCD00006917 | NSC 82354 | Julolidine | 2, 3, 6, 7-Tetrahydro-1H, 5H-benzo[i, j]quinolizine | 8ERL3KJ6GQ | NCGC00188119-03 | AC-1175

Specifications & Purity

≥97%(GC)(T)

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%(GC)(T)

Names and Identifiers

• Pubchem Sid: 504754244
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754244
• Canonical Smiles: C1CC2=C3C(=CC=C2)CCCN3C1
• IUPAC Name: 1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene
• InChIKey: DZFWNZJKBJOGFQ-UHFFFAOYSA-N
• INCHI: 1S/C12H15N/c1-4-10-6-2-8-13-9-3-7-11(5-1)12(10)13/h1,4-5H,2-3,6-9H2
• Isomeric SMILES: C1CC2=C3C(=CC=C2)CCCN3C1
• Molecular Weight: 173.26
• Beilstein: 20(5)7,189
• Reaxy-Rn: 139925
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=139925&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Quinolines and derivatives
      • Subclass Hydroquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Hydroquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroquinolines
• Alternative Parents: Dialkylarylamines Aralkylamines Benzenoids Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Tetrahydroquinoline - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Aralkylamine - Benzenoid - Tertiary amine - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as hydroquinolines. These are derivatives of quinoline in which in which at least one double bond in the quinoline moiety are reduced by adding two hydrogen atoms.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in Toluene
• Sensitivity: Light Sensitive,Air Sensitive,Heat Sensitive
• Boil Point(°C): 280 °C
• Melt Point(°C): 37 °C
• Molecular Weight: 173.250 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 173.12 Da
• Monoisotopic Mass: 173.12 Da
• Topological Polar Surface Area: 3.200 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 172.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Huiping Dang, Youliang Tian, Quan Cheng, Changchang Teng, Kai Xie, Lifeng Yan.  (2021)  Galactose conjugated boron dipyrromethene and hydrogen bonding promoted J-aggregates for efficiently targeted NIR-II fluorescence assistant photothermal therapy.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:34995865] [10.1016/j.jcis.2021.12.177]