5,6,7,8-tetrahydro-1,6-naphthyridine

• ChemBase ID: 67728
• Molecular Formular: C8H10N2
• Molecular Mass: 134.1784
• Monoisotopic Mass: 134.08439833
• SMILES: n1cccc2CNCCc12
• Canonical SMILES: C1NCc2c(C1)nccc2
• InChI: InChI=1S/C8H10N2/c1-2-7-6-9-5-3-8(7)10-4-1/h1-2,4,9H,3,5-6H2
• InChIKey: FPEAARFNXIWCTP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,6,7,8-tetrahydro-1,6-naphthyridine
• IUPAC Traditional name: 5,6,7,8-tetrahydro-1,6-naphthyridine
• Synonyms: 5,6,7,8-Tetrahydro-1,6-naphthyridine

Database IDs

• CAS Number: 80957-68-2
• MDL Number: MFCD06738733
• PubChem SID: 162033463
• PubChem CID: 13193882

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.60441
• LogD (pH = 7.4): -1.0604682
• Log P: 0.38363415
• Molar Refractivity: 39.8809 cm^3
• Polarizability: 15.677948 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 0.322
• Hydrophobicity(logP): 0.098

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%