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

• ChemBase ID: 71014
• Molecular Formular: C8H11ClN2
• Molecular Mass: 170.63934
• Monoisotopic Mass: 170.06107604
• SMILES: C1NCCc2ccncc12.Cl
• Canonical SMILES: N1CCc2c(C1)cncc2.Cl
• InChI: InChI=1S/C8H10N2.ClH/c1-3-9-5-8-6-10-4-2-7(1)8;/h1,3,5,10H,2,4,6H2;1H
• InChIKey: WRARFMNQYDXJET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,3,4-tetrahydro-2,7-naphthyridine hydrochloride
• IUPAC Traditional name: 1,2,3,4-tetrahydro-2,7-naphthyridine hydrochloride
• Synonyms: 1,2,3,4-Tetrahydro-2,7-naphthyridine hydrochloride

Database IDs

• CAS Number: 1354940-72-9
• MDL Number: MFCD18253770
• PubChem SID: 162036720
• PubChem CID: 56965784

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

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%