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120351-90-8 molecular structure
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1-(2-aminoethoxy)-2-fluorobenzene

ChemBase ID: 15306
Molecular Formular: C8H10FNO
Molecular Mass: 155.1695032
Monoisotopic Mass: 155.07464217
SMILES and InChIs

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

Cite this record

CBID:15306 http://www.chembase.cn/molecule-15306.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
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
CAS Number
120351-90-8
MDL Number
MFCD00235182
PubChem SID
160978613
PubChem CID
2106899

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.8002943  LogD (pH = 7.4) -0.6946007 
Log P 1.1612927  Molar Refractivity 40.6874 cm3
Polarizability 15.878671 Å3 Polar Surface Area 35.25 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
Air Sensitive expand Show data source
IRRITANT expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
UN2735 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Hazard Class
8 expand Show data source
Packing Group
III expand Show data source
Risk Statements
34 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS Hazard statements
H314-H318 expand Show data source
GHS Precautionary statements
P280-P305+P351+P338-P309-P310 expand Show data source
Purity
97% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - F595185 external link
A novel phenoxyalkylamine derivative useful as inhibitor of herpes viruses.

REFERENCES

REFERENCES

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

PATENTS

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INTERNET

INTERNET

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