2-aminoquinolin-8-ol

• ChemBase ID: 158081
• Molecular Formular: C9H8N2O
• Molecular Mass: 160.17262
• Monoisotopic Mass: 160.06366289
• SMILES: c1cc2ccc(nc2c(c1)O)N
• Canonical SMILES: Nc1ccc2c(n1)c(O)ccc2
• InChI: InChI=1S/C9H8N2O/c10-8-5-4-6-2-1-3-7(12)9(6)11-8/h1-5,12H,(H2,10,11)
• InChIKey: UFVLIVCXTIGACT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-aminoquinolin-8-ol
• IUPAC Traditional name: 2-aminoquinolin-8-ol
• Synonyms: 2-Amino-8-quinolinol; 2-Amino-8-hydroxyquinoline; 2-Amino-8-quinolinol; 2-aminoquinolin-8-ol; 2-Amino-8-hydroxyquinoline; 2-Amino-8-quinolinol; 2-氨基-8-羟基喹啉; 2-氨基-8-喹啉醇

Database IDs

• CAS Number: 70125-16-5
• MDL Number: MFCD00168931
• Beilstein Number: 124025
• PubChem SID: 162252217; 24846149
• PubChem CID: 4653788

CALCULATED PROPERTIES

• Acid pKa: 9.35206
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.7164501
• LogD (pH = 7.4): 1.52947
• Log P: 1.5928668
• Molar Refractivity: 46.9741 cm^3
• Polarizability: 18.705727 Å^3
• Polar Surface Area: 59.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Acetone; Dimethyl Sulfoxide
• Apperance: Green-Yellow Solid
• Melting Point: 157-160 °C; 157-160°C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥98.0% (GC); 95+%; 98%
• Empirical Formula (Hill Notation): C9H8N2O