4-methoxyacridin-9-ol

• ChemBase ID: 146093
• Molecular Formular: C14H11NO2
• Molecular Mass: 225.24264
• Monoisotopic Mass: 225.0789786
• SMILES: COc1cccc2c1nc1ccccc1c2O
• Canonical SMILES: COc1cccc2c1nc1ccccc1c2O
• InChI: InChI=1S/C14H11NO2/c1-17-12-8-4-6-10-13(12)15-11-7-3-2-5-9(11)14(10)16/h2-8H,1H3,(H,15,16)
• InChIKey: ZYEVJRPVZZGDRM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxyacridin-9-ol
• IUPAC Traditional name: 4-methoxyacridin-9-ol
• Synonyms: 4-Methoxy-9-acridinol; 9-Hydroxy-4-methoxyacridine; 4-甲氧基-9-吖啶醇; 9-羟基-4-甲氧基吖啶

Database IDs

• CAS Number: 35308-00-0
• EC Number: 252-505-2
• MDL Number: MFCD00005027
• Beilstein Number: 200297
• PubChem SID: 24895580; 162240292
• PubChem CID: 51991

CALCULATED PROPERTIES

• Acid pKa: 8.711688
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.5132902
• LogD (pH = 7.4): 3.011311
• Log P: 3.044991
• Molar Refractivity: 64.5016 cm^3
• Polarizability: 27.676573 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 284-287 °C (dec.)(lit.); ca 286°C dec.

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37; 26-37/39
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Pharmacology Properties

• Gene Information: human ... ABCB1(5243)

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C14H11NO2

DETAILS

Sigma Aldrich - H35900

Packaging
1 g in glass bottle