benzyl(octyl)amine

• ChemBase ID: 247547
• Molecular Formular: C15H25N
• Molecular Mass: 219.3657
• Monoisotopic Mass: 219.19869981
• SMILES: N(Cc1ccccc1)CCCCCCCC
• Canonical SMILES: CCCCCCCCNCc1ccccc1
• InChI: InChI=1S/C15H25N/c1-2-3-4-5-6-10-13-16-14-15-11-8-7-9-12-15/h7-9,11-12,16H,2-6,10,13-14H2,1H3
• InChIKey: VRYPROVLGPMATH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl(octyl)amine
• IUPAC Traditional name: benzylamine, N-octyl-
• Synonyms: benzyl(octyl)amine

Database IDs

• MDL Number: MFCD00961594
• PubChem SID: 164303457
• PubChem CID: 15464

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.4189341
• LogD (pH = 7.4): 2.1782608
• Log P: 4.6337686
• Molar Refractivity: 71.5836 cm^3
• Polarizability: 28.525644 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 5.213

Product Information

• Purity: 95%