{[2-(3-aminopropoxy)ethoxy]methyl}benzene

• ChemBase ID: 248605
• Molecular Formular: C12H19NO2
• Molecular Mass: 209.28476
• Monoisotopic Mass: 209.14157885
• SMILES: NCCCOCCOCc1ccccc1
• Canonical SMILES: NCCCOCCOCc1ccccc1
• InChI: InChI=1S/C12H19NO2/c13-7-4-8-14-9-10-15-11-12-5-2-1-3-6-12/h1-3,5-6H,4,7-11,13H2
• InChIKey: HVYOWVSQBQKPSQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[2-(3-aminopropoxy)ethoxy]methyl}benzene
• IUPAC Traditional name: {[2-(3-aminopropoxy)ethoxy]methyl}benzene
• Synonyms: {[2-(3-aminopropoxy)ethoxy]methyl}benzene

Database IDs

• PubChem SID: 164304515
• PubChem CID: 71758537

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.957437
• LogD (pH = 7.4): -1.4953725
• Log P: 1.065023
• Molar Refractivity: 61.4838 cm^3
• Polarizability: 24.28702 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.398

Product Information

• Purity: 95%