9-formyl-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolinium-8-olate
Basic information
- CAS
63149-33-7- Standard SMILES
O=Cc1cc2c3c(c1[O-])CCC[NH+]3CCC2- InChIKey
NRZXBDYODHLZBF-UHFFFAOYSA-N- Molecular formula
- C13H15NO2
- Average molar mass
- 217.26 g/mol
- Monoisotopic mass
- 217.11027872
Overview
See also: 9-Formyl-8-julolidinol (preferred).
Names & identifiers
- Preferred name
- 9-formyl-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolinium-8-olate
- IUPAC
- 7-formyl-1-azoniatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-olate
- English name
- 8-Hydroxyjulolidine-9-aldehyde
- Molecular formula
- C13H15NO2
- Molecular weight
- 217.26
Names & synonyms
STK619801AKOS0055539229-formyl-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolinium-8-olate8-HYDROXYJULOLIDINE-9-CARBOXALDEHYDEAKOS NCG-00559-Formyl-8-julolidinol9-FORMYL-8-HYDROXYJULOLIDINE8-hydroxyjulolodine-9-aldehyde8-Hydroxyjulolidine-9-aldehyde9-Formyl-8-hydroxyjulolidine, 97%,8-Hydroxyjulolidine-9-carboxaldehyde>9-FORMYL-2,3,6,7-TETRAHYDRO-1H,5H-BENZO[IJ]QUINOLIZIN-8-OL2,3,6,7-TETRAHYDRO-8-HYDROXY-1H,5H-BENZO[IJ]QUINOLIZINE-9-CARBALDEHYDE
Database identifiers
- CAS
63149-33-7- PubChem CID
- 3930402
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 44.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 281
Physicochemical properties
- Melting point
- 69 · 69-73°C
- Boiling point
- 417.3 · 417.3±45.0 °C(Predicted)
- Density
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- form
- powder to crystal
- pka
- 9.47 · 9.47±0.20(Predicted)
- color
- White to Amber to Dark green
- Major Application
- diagnostic assay manufacturinghematologyhistology
- InChI
- InChI=1S/C13H15NO2/c15-8-10-7-9-3-1-5-14-6-2-4-11(12(9)14)13(10)16/h7-8,16H,1-6H2
- InChIKey
- NRZXBDYODHLZBF-UHFFFAOYSA-N
- SMILES
- C12=CC(C=O)=C(O)C3=C1N(CCC3)CCC2
- CAS DataBase Reference
- 63149 · 63149-33-7(CAS DataBase Reference)
- FDA UNII
- 26 Y1H0WB5 · A26Y1H0WB5
- EPA Substance Registry System
- 1 H,5H-Benzo[ij]quinolizine-9-carboxaldehyde, · 1H,5H-Benzo[ij]quinolizine-9-carboxaldehyde, 2,3,6,7-tetrahydro-8-hydroxy- (63149-33-7)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29339900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses8-Hydroxyjulolidine-9-carboxaldehyde is a reactant in the development of iminocoumarin-based zinc sensor suitable for ratiometric fluorescence imaging of neuronal zinc.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…