(1,5-naphthyridin-2-yl)methanamine

• ChemBase ID: 813778
• Molecular Formular: C9H9N3
• Molecular Mass: 159.18786
• Monoisotopic Mass: 159.0796473
• SMILES: C(N)c1ccc2c(n1)cccn2
• Canonical SMILES: NCc1ccc2c(n1)cccn2
• InChI: InChI=1S/C9H9N3/c10-6-7-3-4-8-9(12-7)2-1-5-11-8/h1-5H,6,10H2
• InChIKey: VMMHDAQXYXCQIR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1,5-naphthyridin-2-yl)methanamine
• IUPAC Traditional name: 1,5-naphthyridin-2-ylmethanamine
• Synonyms: (1,5-naphthyridin-2-yl)methanamine

Database IDs

• CAS Number: 1060816-75-2

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.1907756
• LogD (pH = 7.4): -0.58968616
• Log P: 0.5063187
• Molar Refractivity: 45.4016 cm^3
• Polarizability: 19.467625 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%