quinoline-2,6-diamine

• ChemBase ID: 269671
• Molecular Formular: C9H9N3
• Molecular Mass: 159.18786
• Monoisotopic Mass: 159.0796473
• SMILES: n1c2c(cc(N)cc2)ccc1N
• Canonical SMILES: Nc1ccc2c(c1)ccc(n2)N
• InChI: InChI=1S/C9H9N3/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h1-5H,10H2,(H2,11,12)
• InChIKey: WECFWBJFIOOXPR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: quinoline-2,6-diamine
• IUPAC Traditional name: quinoline-2,6-diamine
• Synonyms: quinoline-2,6-diamine

Database IDs

• MDL Number: MFCD12173224
• PubChem SID: 164325581
• PubChem CID: 22018948

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.040058862
• LogD (pH = 7.4): 0.9962234
• Log P: 1.0675061
• Molar Refractivity: 49.6936 cm^3
• Polarizability: 19.257109 Å^3
• Polar Surface Area: 64.93 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 213 - 215°C
• Hydrophobicity(logP): 1.15

Product Information

• Purity: 95%