1,7-naphthyridin-8-amine

• ChemBase ID: 10217
• Molecular Formular: C8H7N3
• Molecular Mass: 145.16128
• Monoisotopic Mass: 145.06399724
• SMILES: c1cnc2c(c1)ccnc2N
• Canonical SMILES: Nc1nccc2c1nccc2
• InChI: InChI=1S/C8H7N3/c9-8-7-6(3-5-11-8)2-1-4-10-7/h1-5H,(H2,9,11)
• InChIKey: LRKLTZGZHDEBME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,7-naphthyridin-8-amine
• IUPAC Traditional name: 1,7-naphthyridin-8-amine
• Synonyms: 1,7-Naphthyridin-8-amine; 1,7-Naphthyridin-8-amine; 8-Amino-1,7-diazanaphthalene; 8-Amino-1,7-naphthyridine

Database IDs

• CAS Number: 17965-82-1
• MDL Number: MFCD01319219
• PubChem SID: 160973524
• PubChem CID: 2737037

CALCULATED PROPERTIES

• Acid pKa: 19.373035
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.6633689
• LogD (pH = 7.4): 0.6785622
• Log P: 0.67875963
• Molar Refractivity: 42.8363 cm^3
• Polarizability: 17.213772 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 167-170°C; 171-174°C

Safety Information

• Storage Warning: Harmful/Irritant
• TSCA Listed: false

Product Information

• Purity: 98%