acridin-4-amine

• ChemBase ID: 125421
• Molecular Formular: C13H10N2
• Molecular Mass: 194.2319
• Monoisotopic Mass: 194.08439833
• SMILES: Nc1cccc2cc3ccccc3nc12
• Canonical SMILES: Nc1cccc2c1nc1ccccc1c2
• InChI: InChI=1S/C13H10N2/c14-11-6-3-5-10-8-9-4-1-2-7-12(9)15-13(10)11/h1-8H,14H2
• InChIKey: QWAGALBSTFENEE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: acridin-4-amine
• IUPAC Traditional name: 4-aminoacridine
• Synonyms: 4-Aminoacridine

Database IDs

• CAS Number: 578-07-4
• PubChem SID: 162219771
• PubChem CID: 11353
• CHEMBL: 147934
• Chemspider ID: 21243528
• Unique Ingredient Identifier: 16S346L1OM
• Wikipedia Title: 4-Aminoacridine

CALCULATED PROPERTIES

• Acid pKa: 19.707188
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.3218763
• LogD (pH = 7.4): 2.6702511
• Log P: 2.6773016
• Molar Refractivity: 60.7579 cm^3
• Polarizability: 25.824274 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true