1,8-naphthyridin-4-amine

• ChemBase ID: 114009
• Molecular Formular: C8H7N3
• Molecular Mass: 145.16128
• Monoisotopic Mass: 145.06399724
• SMILES: c12c(nccc1N)nccc2
• Canonical SMILES: Nc1ccnc2c1cccn2
• InChI: InChI=1S/C8H7N3/c9-7-3-5-11-8-6(7)2-1-4-10-8/h1-5H,(H2,9,10,11)
• InChIKey: FPMFWNDLLWUVEH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,8-naphthyridin-4-amine
• IUPAC Traditional name: 1,8-naphthyridin-4-amine
• Synonyms: 1,8-naphthyridin-4-amine hydrochloride; 1,8-NAPHTHYRIDIN-4-AMINE

Database IDs

• CAS Number: 54569-30-1
• MDL Number: MFCD05738890
• PubChem SID: 162099472
• PubChem CID: 12422525

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.3658531
• LogD (pH = 7.4): 0.4087285
• Log P: 0.40930665
• Molar Refractivity: 44.0956 cm^3
• Polarizability: 16.51535 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 0.414

Product Information

• Purity: 95+%; 98%
• Salt Data: HCl