1-(2-aminoethoxy)-2-fluorobenzene

• ChemBase ID: 15306
• Molecular Formular: C8H10FNO
• Molecular Mass: 155.1695032
• Monoisotopic Mass: 155.07464217
• SMILES: c1(c(OCCN)cccc1)F
• Canonical SMILES: NCCOc1ccccc1F
• InChI: InChI=1S/C8H10FNO/c9-7-3-1-2-4-8(7)11-6-5-10/h1-4H,5-6,10H2
• InChIKey: LXOQYJMQPRGSTL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-aminoethoxy)-2-fluorobenzene
• IUPAC Traditional name: 1-(2-aminoethoxy)-2-fluorobenzene
• Synonyms: 2-(2-Fluorophenoxy)-1-ethanamine; 2-(2-Fluorophenoxy)ethanamine; 2-(2-Fluorophenoxy)ethylamine; 2-(2-fluorophenoxy)ethanamine; 2-(2-Fluorophenoxy)ethylamine; 2-(2-氟苯氧基)乙胺

Database IDs

• CAS Number: 120351-90-8
• MDL Number: MFCD00235182
• PubChem SID: 160978613
• PubChem CID: 2106899

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.8002943
• LogD (pH = 7.4): -0.6946007
• Log P: 1.1612927
• Molar Refractivity: 40.6874 cm^3
• Polarizability: 15.878671 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Air Sensitive; IRRITANT
• European Hazard Symbols: Corrosive (C)
• UN Number: UN2735
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: false; 否
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P280-P305+P351+P338-P309-P310

Product Information

• Purity: 97%

DETAILS

Toronto Research Chemicals - F595185

A novel phenoxyalkylamine derivative useful as inhibitor of herpes viruses.

REFERENCES

• Matyus, P., et al.: Eur. J. Med. Chem., 27, 107 (1992)