10-(oxiran-2-ylmethyl)-9,10-dihydroacridin-9-one

• ChemBase ID: 289823
• Molecular Formular: C16H13NO2
• Molecular Mass: 251.27992
• Monoisotopic Mass: 251.09462866
• SMILES: O=c1c2ccccc2n(CC2CO2)c2c1cccc2
• Canonical SMILES: O=c1c2ccccc2n(c2c1cccc2)CC1CO1
• InChI: InChI=1S/C16H13NO2/c18-16-12-5-1-3-7-14(12)17(9-11-10-19-11)15-8-4-2-6-13(15)16/h1-8,11H,9-10H2
• InChIKey: KRMZERAQRFRQKQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 10-(oxiran-2-ylmethyl)-9,10-dihydroacridin-9-one
• IUPAC Traditional name: 10-(oxiran-2-ylmethyl)acridin-9-one
• Synonyms: 10-(Oxiran-2-ylmethyl)acridin-9(10H)-one

Database IDs

• CAS Number: 150389-84-7
• PubChem SID: 180675354
• PubChem CID: 10060703

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.964221
• LogD (pH = 7.4): 2.9642215
• Log P: 2.9642215
• Molar Refractivity: 72.7031 cm^3
• Polarizability: 27.871967 Å^3
• Polar Surface Area: 32.84 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%