2-amino-9,10-dihydroacridin-9-one hydrochloride

• ChemBase ID: 289459
• Molecular Formular: C13H11ClN2O
• Molecular Mass: 246.69224
• Monoisotopic Mass: 246.05599066
• SMILES: O=c1c2c(cccc2)[nH]c2ccc(N)cc12.Cl
• Canonical SMILES: Nc1ccc2c(c1)c(=O)c1c([nH]2)cccc1.Cl
• InChI: InChI=1S/C13H10N2O.ClH/c14-8-5-6-12-10(7-8)13(16)9-3-1-2-4-11(9)15-12;/h1-7H,14H2,(H,15,16);1H
• InChIKey: AARHWXRIFFJKLG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-9,10-dihydroacridin-9-one hydrochloride
• IUPAC Traditional name: AMAC hydrochloride
• Synonyms: 2-Aminoacridin-9(10H)-one hydrochloride

Database IDs

• CAS Number: 727388-68-3
• PubChem SID: 180674990
• PubChem CID: 66570698

CALCULATED PROPERTIES

• Acid pKa: 18.043934
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.3493464
• LogD (pH = 7.4): 3.370082
• Log P: 3.3703527
• Molar Refractivity: 63.7621 cm^3
• Polarizability: 23.528303 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%