9-chloro-2-methylacridine

• ChemBase ID: 252237
• Molecular Formular: C14H10ClN
• Molecular Mass: 227.6889
• Monoisotopic Mass: 227.05017701
• SMILES: c12c(c3c(nc1ccc(c2)C)cccc3)Cl
• Canonical SMILES: Cc1ccc2c(c1)c(Cl)c1c(n2)cccc1
• InChI: InChI=1S/C14H10ClN/c1-9-6-7-13-11(8-9)14(15)10-4-2-3-5-12(10)16-13/h2-8H,1H3
• InChIKey: MAFSCEBEIDYRAH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-chloro-2-methylacridine
• IUPAC Traditional name: 9-chloro-2-methylacridine
• Synonyms: 9-chloro-2-methylacridine

Database IDs

• CAS Number: 16492-09-4
• MDL Number: MFCD08262843
• PubChem SID: 164308147
• PubChem CID: 614926

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.4388475
• LogD (pH = 7.4): 4.6207714
• Log P: 4.6236935
• Molar Refractivity: 65.9035 cm^3
• Polarizability: 28.228193 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 121 - 123°C
• Hydrophobicity(logP): 4.709

Product Information

• Purity: 95%