2-(4-Aminophenyl)quinoline-4-carboxylic acid
Basic information
- CAS
94205-62-6- Standard SMILES
Nc1ccc(-c2cc(C(=O)O)c3ccccc3n2)cc1- InChIKey
XYOZPCKKENHWOG-UHFFFAOYSA-N- Molecular formula
- C16H12N2O2
- Average molar mass
- 264.28 g/mol
- Monoisotopic mass
- 264.08987763
Names & identifiers
- Preferred name
- 2-(4-Aminophenyl)quinoline-4-carboxylic acid
- IUPAC
- 2-(4-aminophenyl)quinoline-4-carboxylic acid
- English name
- 2-(4-Amino-phenyl)-quinoline-4-carboxylic acid
- Molecular formula
- C16H12N2O2
- Molecular weight
- 264.28
Names & synonyms
2-(4-aminophenyl)quinoline-4-carboxylic acid94205-62-62-(4-Amino-phenyl)-quinoline-4-carboxylic acidMFCD001782604-Quinolinecarboxylic acid, 2-(4-aminophenyl)-2-(4-aminophenyl)quinoline-4-carboxylicacidCBMicro_0234652-(4-aminophenyl)-quinoline-4-carboxylic acid4-Quinolinecarboxylicacid, 2-(4-aminophenyl)-Oprea1_351345Oprea1_746802IFLab1_001711
Show more names
Zinc00193366AKOS BC-0546TIMTEC-BB SBB0121002-(4-aminophenyl)cinchoninic acid2-(4-aminophenyl)-4-quinolinecarboxylate2-(4-aminophenyl)-4-quinolinecarboxylic acid
CHEMBL5597236SCHEMBL16921273HMS1416N17ALBB-011576BBL013562SBB012100STK364468AKOS000300087
Database identifiers
- CAS
94205-62-6- PubChem CID
- 747897
- ChEMBL
CHEMBL5597236- EC Number
- 673-273-2
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 76.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 352
Physicochemical properties
- Melting point
- 174 · 174-176 °C(Solv: N,N-dimethylformamide (68-12-2); water (7732-18-5))
- Boiling point
- 501.3 · 501.3±45.0 °C(Predicted)
- Density
- 1.342 · 1.342±0.06 g/cm3(Predicted)
- pka
- 0.79 · 0.79±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H319-H315-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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