decahydro-2,7-naphthyridine

• ChemBase ID: 806382
• Molecular Formular: C8H16N2
• Molecular Mass: 140.22604
• Monoisotopic Mass: 140.13134852
• SMILES: C1NCC2CNCCC2C1
• Canonical SMILES: N1CCC2C(C1)CNCC2
• InChI: InChI=1S/C8H16N2/c1-3-9-5-8-6-10-4-2-7(1)8/h7-10H,1-6H2
• InChIKey: XVBWSIVJQVABMM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: decahydro-2,7-naphthyridine
• IUPAC Traditional name: decahydro-2,7-naphthyridine
• Synonyms: DECAHYDRO-2,7-NAPHTHYRIDINE

Database IDs

• CAS Number: 885270-20-2

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -6.2782307
• LogD (pH = 7.4): -4.34408
• Log P: -0.2334766
• Molar Refractivity: 42.386 cm^3
• Polarizability: 17.072641 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%