bis(acridine-3,6-diamine); sulfuric acid

• ChemBase ID: 313002
• Molecular Formular: C26H24N6O4S
• Molecular Mass: 516.57156
• Monoisotopic Mass: 516.15797428
• SMILES: c1c(cc2c(c1)cc1c(n2)cc(cc1)N)N.OS(=O)(=O)O.c1c(cc2c(c1)cc1c(n2)cc(cc1)N)N
• Canonical SMILES: OS(=O)(=O)O.Nc1ccc2c(c1)nc1c(c2)ccc(c1)N.Nc1ccc2c(c1)nc1c(c2)ccc(c1)N
• InChI: InChI=1S/2C13H11N3.H2O4S/c2*14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10;1-5(2,3)4/h2*1-7H,14-15H2;(H2,1,2,3,4)
• InChIKey: YADYXCVYLIKQJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(acridine-3,6-diamine); sulfuric acid
• IUPAC Traditional name: bis(proflavine); sulfuric acid
• Synonyms: Proflavine Hemisulfate

Database IDs

• CAS Number: 1811-28-5

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.1809355
• LogD (pH = 7.4): 0.9445966
• Log P: 1.8483757
• Molar Refractivity: 65.4583 cm^3
• Polarizability: 26.887074 Å^3
• Polar Surface Area: 64.93 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Pharmacology Properties

• Target: Others

Product Information

• Salt Data: Sulfate