6-benzyl-5,6,7,8-tetrahydro-1,6-naphthyridin-3-amine

• ChemBase ID: 64712
• Molecular Formular: C15H17N3
• Molecular Mass: 239.31558
• Monoisotopic Mass: 239.14224756
• SMILES: c12c(ncc(c2)N)CCN(C1)Cc1ccccc1
• Canonical SMILES: Nc1cnc2c(c1)CN(CC2)Cc1ccccc1
• InChI: InChI=1S/C15H17N3/c16-14-8-13-11-18(7-6-15(13)17-9-14)10-12-4-2-1-3-5-12/h1-5,8-9H,6-7,10-11,16H2
• InChIKey: LZCBWYQNYNKFFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-benzyl-5,6,7,8-tetrahydro-1,6-naphthyridin-3-amine
• IUPAC Traditional name: 6-benzyl-7,8-dihydro-5H-1,6-naphthyridin-3-amine
• Synonyms: 3-Amino-6-benzyl-5,6,7,8-tetrahydro-1,6-naphthyridine; 6-Benzyl-5,6,7,8-tetrahydro-1,6-naphthyridin-3-amine

Database IDs

• CAS Number: 214699-26-0
• MDL Number: MFCD09025775
• PubChem SID: 162030451
• PubChem CID: 10879216

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.74822956
• LogD (pH = 7.4): 1.0287782
• Log P: 1.6622293
• Molar Refractivity: 74.4886 cm^3
• Polarizability: 28.27227 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%