Basic information
- Standard SMILES
Nc1cccc2ncccc12- InChIKey
XMIAFAKRAAMSGX-UHFFFAOYSA-N- Molecular formula
- C9H8N2
- Average molar mass
- 144.17 g/mol
- Monoisotopic mass
- 144.06874826
Names & identifiers
- Preferred name
- 5-Aminoquinoline
- IUPAC
- quinolin-5-amine
- English name
- 5-Aminoquinoline
- Molecular formula
- C9H8N2
- Molecular weight
- 144.17
Names & synonyms
5-AMINOQUINOLINE611-34-75-QuinolinamineQuinoline, 5-amino-5-QuinolylamineYYJ34Z13SHNSC-27982DTXSID80209978NSC-170619RefChem:532466DTXCID30132469210-266-1
Show more names
NSC 27982NSC 170619AKOS 212-43AKOS AUF017035-AminoquinoLASISCHEM Z746635-Aminochinolin
quinolin-5-amineQuinolin-5-ylamine146614-41-7MFCD000067975-amino-quinolineCHEMBL1001945- aminoquinolineA1EHE
Database identifiers
- CAS
611-34-7- PubChem CID
- 11911
- DTXSID
DTXSID80209978- ChEMBL
CHEMBL100194- UNII
- YYJ34Z13SH
- EC Number
- 210-266-1
- Nikkaji
- J79.730H
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 136
Physicochemical properties
- Melting point
- 106 · 106-109 °C (lit.)
- Boiling point
- 310 °C · 310 °C (lit.)
- Density
- 1.1148 · 1.1148 (estimate)
- refractive index
- 1.708 · 1.7080 (estimate)
- Flash point
- 310 °C · 310°C
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- DMSO, Methanol
- pka
- 1 · pK1: 5.46(+1) (20°C,μ=0.01)
- form
- Crystalline Powder or Granules
- color
- White to slightly yellow
- Sensitive
- Air Sensitive
- BRN
- 114479 · 114479
- InChI
- InChI=1S/C9H8N2/c10-8-4-1-5-9-7(8)3-2-6-11-9/h1-6H,10H2
- InChIKey
- XMIAFAKRAAMSGX-UHFFFAOYSA-N
- SMILES
- N1C2C(=C(N)C=CC=2)C=CC=1
- CAS DataBase Reference
- 611 · 611-34-7(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 34 Z13SH · YYJ34Z13SH
- NIST Chemistry Reference
- 5 · 5-Quinolinamine(611-34-7)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/38-36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- RTECS
- 9625000 · VA9625000
- F
- 2 · 2-10
- Hazard Note
- Harmful/Irritant/Air Sensitive
- HazardClass
- IRRITANT
- PackingGroup
- III
- HS Code
- 29334900 · 29334900
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2
Safety & regulation
Safety data
- F
- 2-10
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- rtecs
- VA9625000
- hs_code
- 29334900
- risk_code
- 36/38-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Harmful/Irritant/Air Sensitive
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- packing_group
- III
- Hazard statements
- H315-H319
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2
- Precautionary statements
- P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313
Chemistry & industry
Applications
UsesIntermediate in the preparation of P2X7 antagonists
Preparation methods
PreparationUnder the catalysis of Pd/C, 95% ethanol was used as solvent to reduce 5-nitroquinoline with hydrazine hydrate to synthesize 5-aminoquinoline with a yield of 91.11%.
Upstream & downstream products
Upstream raw materials
Downstream products
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