10-methyl-9,10-dihydroacridin-9-one

• ChemBase ID: 158594
• Molecular Formular: C14H11NO
• Molecular Mass: 209.24324
• Monoisotopic Mass: 209.08406398
• SMILES: Cn1c2ccccc2c(=O)c2c1cccc2
• Canonical SMILES: Cn1c2ccccc2c(=O)c2c1cccc2
• InChI: InChI=1S/C14H11NO/c1-15-12-8-4-2-6-10(12)14(16)11-7-3-5-9-13(11)15/h2-9H,1H3
• InChIKey: XUVKSPPGPPFPQN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 10-methyl-9,10-dihydroacridin-9-one
• IUPAC Traditional name: 10-methylacridin-9-one
• Synonyms: 10-Methyl-9(10H)-acridone

Database IDs

• CAS Number: 719-54-0
• EC Number: 211-948-1
• MDL Number: MFCD00005024
• PubChem SID: 24851550; 162252730
• PubChem CID: 69751

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.1229527
• LogD (pH = 7.4): 3.1229548
• Log P: 3.1229548
• Molar Refractivity: 63.9584 cm^3
• Polarizability: 24.246525 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 204-207 °C(lit.)

Safety Information

• German water hazard class: 3

Product Information

• Purity: 99%
• Empirical Formula (Hill Notation): C14H11NO