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

• ChemBase ID: 798911
• Molecular Formular: C8H12Cl2N2
• Molecular Mass: 207.10028
• Monoisotopic Mass: 206.03775375
• SMILES: Cl.Cl.c1cnc2CNCCc2c1
• Canonical SMILES: C1NCc2c(C1)cccn2.Cl.Cl
• InChI: InChI=1S/C8H10N2.2ClH/c1-2-7-3-5-9-6-8(7)10-4-1;;/h1-2,4,9H,3,5-6H2;2*1H
• InChIKey: ZRMBMVOGUOPEAZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 13623-85-3; 351038-62-5

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.085385
• LogD (pH = 7.4): -0.3523967
• Log P: 0.43528262
• Molar Refractivity: 39.9365 cm^3
• Polarizability: 15.67829 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%