quinoline-5,6-diamine

• ChemBase ID: 89028
• Molecular Formular: C9H9N3
• Molecular Mass: 159.18786
• Monoisotopic Mass: 159.0796473
• SMILES: n1cccc2c(c(ccc12)N)N
• Canonical SMILES: Nc1ccc2c(c1N)cccn2
• InChI: InChI=1S/C9H9N3/c10-7-3-4-8-6(9(7)11)2-1-5-12-8/h1-5H,10-11H2
• InChIKey: NQVVFKIVIFJKLA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: quinoline-5,6-diamine
• IUPAC Traditional name: quinoline-5,6-diamine
• Synonyms: Quinoline-5,6-diamine; 5,6-Diaminoquinoline; quinoline-5,6-diamine

Database IDs

• MDL Number: MFCD03659003
• PubChem SID: 162075914
• PubChem CID: 426874

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.0036904202
• LogD (pH = 7.4): 0.4614911
• Log P: 0.47304857
• Molar Refractivity: 49.3801 cm^3
• Polarizability: 19.260456 Å^3
• Polar Surface Area: 64.93 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Toxic/Air Sensitive