1,2,3,4-tetrahydro-2,7-naphthyridine dihydrochloride

• ChemBase ID: 798908
• Molecular Formular: C8H12Cl2N2
• Molecular Mass: 207.10028
• Monoisotopic Mass: 206.03775375
• SMILES: Cl.Cl.C1NCc2cnccc2C1
• Canonical SMILES: N1CCc2c(C1)cncc2.Cl.Cl
• InChI: InChI=1S/C8H10N2.2ClH/c1-3-9-5-8-6-10-4-2-7(1)8;;/h1,3,5,10H,2,4,6H2;2*1H
• InChIKey: UDLRABMSNBQYDO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,3,4-tetrahydro-2,7-naphthyridine dihydrochloride
• IUPAC Traditional name: 1,2,3,4-tetrahydro-2,7-naphthyridine dihydrochloride
• Synonyms: 1,2,3,4-tetrahydro-2,7-naphthyridine dihydrochloride; 1,2,3,4-Tetrahydro-[2,7]naphthyridinedihydrochloride

Database IDs

• CAS Number: 449175-32-0; 108749-08-2

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.6537337
• LogD (pH = 7.4): -1.1284887
• Log P: 0.35381073
• Molar Refractivity: 40.4587 cm^3
• Polarizability: 15.675962 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%