benzo[h]quinolin-10-ol

• ChemBase ID: 295017
• Molecular Formular: C13H9NO
• Molecular Mass: 195.21666
• Monoisotopic Mass: 195.06841391
• SMILES: c1cc2ccc3cccnc3c2c(c1)O
• Canonical SMILES: Oc1cccc2c1c1ncccc1cc2
• InChI: InChI=1S/C13H9NO/c15-11-5-1-3-9-6-7-10-4-2-8-14-13(10)12(9)11/h1-8,15H
• InChIKey: KESRRRLHHXXBRW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzo[h]quinolin-10-ol
• IUPAC Traditional name: benzo[h]quinolin-10-ol
• Synonyms: 10-Hydroxybenzo[h]quinoline; 10-羟基苯并[ h] 喹啉

Database IDs

• CAS Number: 33155-90-7
• EC Number: 000-000-0
• MDL Number: MFCD00142350
• Beilstein Number: 141770
• PubChem SID: 180680548
• PubChem CID: 11816407

CALCULATED PROPERTIES

• Acid pKa: 8.228792
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.8040788
• LogD (pH = 7.4): 2.7569366
• Log P: 2.8168118
• Molar Refractivity: 58.4104 cm^3
• Polarizability: 25.234926 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 103-105°C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 98%