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

• ChemBase ID: 159795
• Molecular Formular: C13H10N2O
• Molecular Mass: 210.2313
• Monoisotopic Mass: 210.07931295
• SMILES: c1ccc2c(c1)c(=O)c1c([nH]2)ccc(c1)N
• Canonical SMILES: Nc1ccc2c(c1)c(=O)c1c([nH]2)cccc1
• InChI: InChI=1S/C13H10N2O/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)
• InChIKey: PIGCSKVALLVWKU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-9,10-dihydroacridin-9-one
• IUPAC Traditional name: AMAC
• Synonyms: 2-Amino-9(10H)-acridinone; 2-Amino-9-acridone; 2-Aminoacridone

Database IDs

• CAS Number: 27918-14-5
• PubChem SID: 162253930
• PubChem CID: 121965

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

DETAILS

Toronto Research Chemicals - A580200

2-Aminoacridone is a fluorescent label for glycans and saccharides.

REFERENCES

• Royle, L., et al.: Anal. Biochem., 376, 1 (2008)
• Knezevic, A., et al.: J. Proteome Res., 8, 694 (2008)