2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethan-1-amine

• ChemBase ID: 800341
• Molecular Formular: C10H15N3
• Molecular Mass: 177.2462
• Monoisotopic Mass: 177.1265975
• SMILES: NCCc1ccc2c(n1)NCCC2
• Canonical SMILES: NCCc1ccc2c(n1)NCCC2
• InChI: InChI=1S/C10H15N3/c11-6-5-9-4-3-8-2-1-7-12-10(8)13-9/h3-4H,1-2,5-7,11H2,(H,12,13)
• InChIKey: DWOAHJYIJRYPTG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethan-1-amine
• IUPAC Traditional name: 2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethanamine
• Synonyms: 2-(5,6,7,8-Tetrahydro-[1,8]naphthyridin-2-yl)-ethylamine

Database IDs

• CAS Number: 332884-13-6

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.7755406
• LogD (pH = 7.4): -1.4347798
• Log P: 0.75151926
• Molar Refractivity: 54.9696 cm^3
• Polarizability: 20.421251 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%