acridin-3-amine

• ChemBase ID: 125365
• Molecular Formular: C13H10N2
• Molecular Mass: 194.2319
• Monoisotopic Mass: 194.08439833
• SMILES: n1c2c(cc3c1cccc3)ccc(c2)N
• Canonical SMILES: Nc1ccc2c(c1)nc1c(c2)cccc1
• InChI: InChI=1S/C13H10N2/c14-11-6-5-10-7-9-3-1-2-4-12(9)15-13(10)8-11/h1-8H,14H2
• InChIKey: GHCKERHPOQWERJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: acridin-3-amine
• IUPAC Traditional name: 3-aminoacridine
• Synonyms: 3-Aminoacridine

Database IDs

• CAS Number: 581-29-3
• PubChem SID: 162219715
• PubChem CID: 11385
• CHEMBL: 148204
• Chemspider ID: 10907
• Unique Ingredient Identifier: 5T83GY5877
• Wikipedia Title: 3-Aminoacridine

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.2476339
• LogD (pH = 7.4): 2.451224
• Log P: 2.6773016
• Molar Refractivity: 60.7579 cm^3
• Polarizability: 25.818401 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true