benzyl(4-methoxybutyl)amine

• ChemBase ID: 263558
• Molecular Formular: C12H19NO
• Molecular Mass: 193.28536
• Monoisotopic Mass: 193.14666423
• SMILES: N(Cc1ccccc1)CCCCOC
• Canonical SMILES: COCCCCNCc1ccccc1
• InChI: InChI=1S/C12H19NO/c1-14-10-6-5-9-13-11-12-7-3-2-4-8-12/h2-4,7-8,13H,5-6,9-11H2,1H3
• InChIKey: CPIFSANWQHBGMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl(4-methoxybutyl)amine
• IUPAC Traditional name: benzyl(4-methoxybutyl)amine
• Synonyms: benzyl(4-methoxybutyl)amine

Database IDs

• MDL Number: MFCD13196120
• PubChem SID: 164319468
• PubChem CID: 45792374

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.1526814
• LogD (pH = 7.4): -0.39066997
• Log P: 2.0619416
• Molar Refractivity: 59.8595 cm^3
• Polarizability: 23.623236 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.826

Product Information

• Purity: 95%