5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine

• ChemBase ID: 815747
• Molecular Formular: C8H11N3
• Molecular Mass: 149.19304
• Monoisotopic Mass: 149.09529737
• SMILES: c1c(nc2CCNCc2c1)N
• Canonical SMILES: Nc1ccc2c(n1)CCNC2
• InChI: InChI=1S/C8H11N3/c9-8-2-1-6-5-10-4-3-7(6)11-8/h1-2,10H,3-5H2,(H2,9,11)
• InChIKey: ZRQZNYOLOXKRCI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine
• IUPAC Traditional name: 5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine
• Synonyms: 5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine

Database IDs

• CAS Number: 912366-00-8

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.02541
• LogD (pH = 7.4): -1.4196635
• Log P: 0.14916572
• Molar Refractivity: 44.8948 cm^3
• Polarizability: 16.809238 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%