1,2,3,4-tetrahydro-1,6-naphthyridin-8-amine

• ChemBase ID: 114016
• Molecular Formular: C8H11N3
• Molecular Mass: 149.19304
• Monoisotopic Mass: 149.09529737
• SMILES: c12c(N)cncc2CCCN1
• Canonical SMILES: Nc1cncc2c1NCCC2
• InChI: InChI=1S/C8H11N3/c9-7-5-10-4-6-2-1-3-11-8(6)7/h4-5,11H,1-3,9H2
• InChIKey: DWJYWOLHBXVMFI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,3,4-tetrahydro-1,6-naphthyridin-8-amine
• IUPAC Traditional name: 1,2,3,4-tetrahydro-1,6-naphthyridin-8-amine
• Synonyms: 1,2,3,4-tetrahydro-1,6-naphthyridin-8-amine

Database IDs

• MDL Number: MFCD12404060
• PubChem SID: 162100539
• PubChem CID: 45496217

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.1010479
• LogD (pH = 7.4): -1.0729038
• Log P: -0.11611727
• Molar Refractivity: 46.7059 cm^3
• Polarizability: 16.4223 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: -0.0070

Product Information

• Purity: 95+%