[(6,9-dichloroacridin-2-yl)oxy](propyl)amine

• ChemBase ID: 110454
• Molecular Formular: C16H14Cl2N2O
• Molecular Mass: 321.20116
• Monoisotopic Mass: 320.04831844
• SMILES: CCCNOc1ccc2nc3cc(Cl)ccc3c(Cl)c2c1
• Canonical SMILES: CCCNOc1ccc2c(c1)c(Cl)c1c(n2)cc(cc1)Cl
• InChI: InChI=1S/C16H14Cl2N2O/c1-2-7-19-21-11-4-6-14-13(9-11)16(18)12-5-3-10(17)8-15(12)20-14/h3-6,8-9,19H,2,7H2,1H3
• InChIKey: XSXGDBVZTUNXPT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(6,9-dichloroacridin-2-yl)oxy](propyl)amine
• IUPAC Traditional name: [(6,9-dichloroacridin-2-yl)oxy](propyl)amine
• Synonyms: 1-AZA-2-n-BUTOXY-6,9-DICHLOROACRIDINE

Database IDs

• CAS Number: 6940-92-7
• PubChem SID: 162090505
• PubChem CID: 25021272

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 4.959439
• LogD (pH = 7.4): 5.136841
• Log P: 5.1395
• Molar Refractivity: 95.3178 cm^3
• Polarizability: 35.932724 Å^3
• Polar Surface Area: 34.15 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05215097

MP Biomedicals Rare Chemical collection