Basic information
- CAS
187173-05-3- Standard SMILES
c1ccc2nc(C3=NCCN3)ccc2c1- InChIKey
OSUVWJGCKQEMHK-UHFFFAOYSA-N- Molecular formula
- C12H11N3
- Average molar mass
- 197.24 g/mol
- Monoisotopic mass
- 197.09529736
Overview
2-(4,5-dihydro-1H-imidazol-2-yl)quinoline is a member of quinolines.
Names & identifiers
- Preferred name
- BU 224
- IUPAC
- 2-(4,5-dihydro-1H-imidazol-2-yl)quinoline
- English name
- 2-(4,5-DIHYDROIMIDAZOL-2-YL)QUINOLINE HYDROCHLORIDE
- Molecular formula
- C12H11N3
- Molecular weight
- 197.24
Names & synonyms
BU 224BU-224BU224RefChem:1217962-(4,5-dihydro-1H-imidazol-2-yl)quinolineCHEMBL136982-(4,5-Dihydroimidaz-2-yl)-QuinolineNCGC00015130-01Tocris-0725Lopac-B-154Lopac0_000167BU 224 HCl
Show more names
BU 224 HYDROCHLORIDEQuinoline, 2-(4,5-dihydro-1H-imidazol-2-yl)-2-(4,5-DIHYDROIMIDAZOL-2-YL)QUINOLINE HYDROCHLORIDE
SCHEMBL1526637SCHEMBL29766776CHEBI:92967DTXSID001272339BDBM50240365CCG-204262SDCCGSBI-0050155.P002NCGC00015130-02
Database identifiers
- CAS
187173-05-3- PubChem CID
- 2457
- DTXSID
DTXSID001272339- ChEMBL
CHEMBL13698- ChEBI
CHEBI:92967- Nikkaji
- J786.453A
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 262
Experimental & physicochemical properties
LogP0.6
Physicochemical properties
- Boiling point
- 372.9 · 372.9±34.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- storage temp.
- Desiccate at RT
- solubility
- 1.2 mg/mL · ethanol: 1.2 mg/mL
- form
- solid
- pka
- 9.87 · 9.87±0.40(Predicted)
- color
- white
- InChI
- 1S/C12H11N3.ClH/c1-2-4-10-9(3-1)5-6-11(15-10)12-13-7-8-14-12;/h1-6H,7-8H2,(H,13,14);1H
- InChIKey
- DDFHQXAQWZWRSQ-UHFFFAOYSA-N
- SMILES
- Cl[H].C1CN=C(N1)c2ccc3ccccc3n2
- UNSPSC Code
- 12352202 · 12352202
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 7 · GHS07
- Signal word
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
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesBU224 is one of the two most widely studied I2 receptor ligands and have antinociceptive and antidepressant-like activities in rodents.
Suppliers4 total
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
北京博奥森生物技术有限公司400-901-9800 18611424007 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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