1,2,3,4-tetrahydro-1,8-naphthyridine

• ChemBase ID: 293957
• Molecular Formular: C8H10N2
• Molecular Mass: 134.1784
• Monoisotopic Mass: 134.08439833
• SMILES: C1CNc2ncccc2C1
• Canonical SMILES: C1CNc2c(C1)cccn2
• InChI: InChI=1S/C8H10N2/c1-3-7-4-2-6-10-8(7)9-5-1/h1,3,5H,2,4,6H2,(H,9,10)
• InChIKey: ZCZVGQCBSJLDDS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,3,4-tetrahydro-1,8-naphthyridine
• IUPAC Traditional name: 1,2,3,4-tetrahydro-1,8-naphthyridine
• Synonyms: 1,2,3,4-Tetrahydro-1,8-naphthyridine

Database IDs

• CAS Number: 13623-87-5
• MDL Number: MFCD08234598
• PubChem SID: 180679488
• PubChem CID: 13047367

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.07566154
• LogD (pH = 7.4): 1.1522093
• Log P: 1.3072662
• Molar Refractivity: 42.319 cm^3
• Polarizability: 15.287622 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%