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459-19-8 molecular structure
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2-(4-fluorophenyl)ethan-1-amine hydrochloride

ChemBase ID: 150011
Molecular Formular: C8H11ClFN
Molecular Mass: 175.6310432
Monoisotopic Mass: 175.05640526
SMILES and InChIs

SMILES:
c1cc(ccc1CCN)F.Cl
Canonical SMILES:
NCCc1ccc(cc1)F.Cl
InChI:
InChI=1S/C8H10FN.ClH/c9-8-3-1-7(2-4-8)5-6-10;/h1-4H,5-6,10H2;1H
InChIKey:
LDSVEOCTJMJEQM-UHFFFAOYSA-N

Cite this record

CBID:150011 http://www.chembase.cn/molecule-150011.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(4-fluorophenyl)ethan-1-amine hydrochloride
IUPAC Traditional name
2-(4-fluorophenyl)ethanamine hydrochloride
Synonyms
4-Fluorophenethylamine hydrochloride
4-氟苯乙胺 盐酸盐
CAS Number
459-19-8
EC Number
207-285-2
MDL Number
MFCD00008190
PubChem SID
24850867
162244173
PubChem CID
197725

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
180394 external link Add to cart Please log in.
Data Source Data ID
PubChem 197725 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.4797142  LogD (pH = 7.4) -0.7778103 
Log P 1.5303774  Molar Refractivity 39.5028 cm3
Polarizability 15.106853 Å3 Polar Surface Area 26.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
200-206 °C(lit.) expand Show data source
RTECS
SH6978000 expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
UN Number
2811 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
20/21/22 expand Show data source
Safety Statements
36 expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H301-H312-H332 expand Show data source
GHS Precautionary statements
P280-P301 + P310 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Faceshields, Gloves expand Show data source
RID/ADR
UN 2811 6.1/PG 3 expand Show data source
Purity
97% expand Show data source
Linear Formula
FC6H4CH2CH2NH2 · HCl expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 180394 external link
Packaging
5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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