1,8-naphthyridin-3-amine

• ChemBase ID: 114010
• Molecular Formular: C8H7N3
• Molecular Mass: 145.16128
• Monoisotopic Mass: 145.06399724
• SMILES: n1c2ncccc2cc(c1)N
• Canonical SMILES: Nc1cnc2c(c1)cccn2
• InChI: InChI=1S/C8H7N3/c9-7-4-6-2-1-3-10-8(6)11-5-7/h1-5H,9H2
• InChIKey: ANNPJOHSVWXQRH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,8-naphthyridin-3-amine
• IUPAC Traditional name: 1,8-naphthyridin-3-amine
• Synonyms: 1,8-naphthyridin-3-amine

Database IDs

• CAS Number: 61323-19-1
• MDL Number: MFCD01646214
• PubChem SID: 162098947
• PubChem CID: 12300728

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.409256
• LogD (pH = 7.4): 0.40930602
• Log P: 0.40930665
• Molar Refractivity: 44.0956 cm^3
• Polarizability: 16.516315 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 0.452

Product Information

• Purity: 95+%