(1,8-naphthyridin-3-yl)methanamine

• ChemBase ID: 813776
• Molecular Formular: C9H9N3
• Molecular Mass: 159.18786
• Monoisotopic Mass: 159.0796473
• SMILES: C(N)c1cnc2ncccc2c1
• Canonical SMILES: NCc1cnc2c(c1)cccn2
• InChI: InChI=1S/C9H9N3/c10-5-7-4-8-2-1-3-11-9(8)12-6-7/h1-4,6H,5,10H2
• InChIKey: IXGDMBDVPONDCG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1,8-naphthyridin-3-yl)methanamine
• IUPAC Traditional name: 1,8-naphthyridin-3-ylmethanamine
• Synonyms: (1,8-naphthyridin-3-yl)methanamine

Database IDs

• CAS Number: 933739-50-5

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.5529456
• LogD (pH = 7.4): -1.274136
• Log P: 0.36400104
• Molar Refractivity: 47.8686 cm^3
• Polarizability: 18.762661 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%