(6-benzyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)methanamine hydrochloride

• ChemBase ID: 65002
• Molecular Formular: C16H20ClN3
• Molecular Mass: 289.8031
• Monoisotopic Mass: 289.13457534
• SMILES: c1cc(nc2c1CN(CC2)Cc1ccccc1)CN.Cl
• Canonical SMILES: NCc1ccc2c(n1)CCN(C2)Cc1ccccc1.Cl
• InChI: InChI=1S/C16H19N3.ClH/c17-10-15-7-6-14-12-19(9-8-16(14)18-15)11-13-4-2-1-3-5-13;/h1-7H,8-12,17H2;1H
• InChIKey: IYEHYXCLNBRVCV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6-benzyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)methanamine hydrochloride
• IUPAC Traditional name: (6-benzyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)methanamine hydrochloride
• Synonyms: (6-Benzyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)methanamine hydrochloride

Database IDs

• CAS Number: 1187830-89-2
• MDL Number: MFCD12400783
• PubChem SID: 162030741
• PubChem CID: 56776978

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.3788702
• LogD (pH = 7.4): -0.06725099
• Log P: 1.6983955
• Molar Refractivity: 77.7394 cm^3
• Polarizability: 30.516455 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%