1,8-naphthyridine-3,6-diamine

• ChemBase ID: 114012
• Molecular Formular: C8H8N4
• Molecular Mass: 160.17592
• Monoisotopic Mass: 160.07489628
• SMILES: c12ncc(cc2cc(cn1)N)N
• Canonical SMILES: Nc1cnc2c(c1)cc(cn2)N
• InChI: InChI=1S/C8H8N4/c9-6-1-5-2-7(10)4-12-8(5)11-3-6/h1-4H,9-10H2
• InChIKey: NIVCMCWDRWLIKL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,8-naphthyridine-3,6-diamine
• IUPAC Traditional name: 1,8-naphthyridine-3,6-diamine
• Synonyms: 1,8-naphthyridine-3,6-diamine

Database IDs

• MDL Number: MFCD16652618
• PubChem SID: 162098948
• PubChem CID: 45496215

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.41983858
• LogD (pH = 7.4): -0.41962206
• Log P: -0.41961932
• Molar Refractivity: 48.796 cm^3
• Polarizability: 17.642868 Å^3
• Polar Surface Area: 77.82 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: -0.184

Product Information

• Purity: 95+%