9-hydrazinylacridine

• ChemBase ID: 91411
• Molecular Formular: C13H11N3
• Molecular Mass: 209.24654
• Monoisotopic Mass: 209.09529737
• SMILES: n1c2c(c(c3ccccc13)NN)cccc2
• Canonical SMILES: NNc1c2ccccc2nc2c1cccc2
• InChI: InChI=1S/C13H11N3/c14-16-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H,14H2,(H,15,16)
• InChIKey: SVANEUDZNISLJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-hydrazinylacridine
• IUPAC Traditional name: acridine, 9-hydrazino-
• Synonyms: 9-Hydrazinoacridine; p-HYDRAZINOACRIDINE

Database IDs

• CAS Number: 3407-93-0
• MDL Number: MFCD00051330
• PubChem SID: 162078110
• PubChem CID: 18864

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.2518685
• LogD (pH = 7.4): 2.1843195
• Log P: 2.89787
• Molar Refractivity: 65.7642 cm^3
• Polarizability: 27.199253 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant