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64090-19-3 molecular structure
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1-(4-fluorophenyl)piperazine dihydrochloride

ChemBase ID: 70120
Molecular Formular: C10H15Cl2FN2
Molecular Mass: 253.1439032
Monoisotopic Mass: 252.05963207
SMILES and InChIs

SMILES:
N1(CCNCC1)c1ccc(cc1)F.Cl.Cl
Canonical SMILES:
Fc1ccc(cc1)N1CCNCC1.Cl.Cl
InChI:
InChI=1S/C10H13FN2.2ClH/c11-9-1-3-10(4-2-9)13-7-5-12-6-8-13;;/h1-4,12H,5-8H2;2*1H
InChIKey:
DZQVAQAZQDURKX-UHFFFAOYSA-N

Cite this record

CBID:70120 http://www.chembase.cn/molecule-70120.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(4-fluorophenyl)piperazine dihydrochloride
IUPAC Traditional name
para-fluorophenylpiperazine dihydrochloride
1-(4-fluorophenyl)piperazine dihydrochloride
Synonyms
1-(4-Fluorophenyl)piperazine dihydrochloride
1-(4-Fluorophenyl)piperazine dihydrochloride
1-(4-氟苯基)哌嗪 二盐酸盐
CAS Number
64090-19-3
MDL Number
MFCD00012765
PubChem SID
24858177
162035845
PubChem CID
16211916

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.3196967  LogD (pH = 7.4) 0.19442567 
Log P 1.6880633  Molar Refractivity 51.4584 cm3
Polarizability 19.28306 Å3 Polar Surface Area 15.27 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
231-234 °C(lit.) expand Show data source
Storage Warning
IRRITANT expand Show data source
European Hazard Symbols
Toxic Toxic (T) expand Show data source
UN Number
2811 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
23/24/25-36/37/38 expand Show data source
Safety Statements
22-26-36/37/39-45 expand Show data source
TSCA Listed
false expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H301-H311-H315-H319-H331-H335 expand Show data source
GHS Precautionary statements
P261-P280-P301 + P310-P305 + P351 + P338-P311 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges expand Show data source
RID/ADR
UN 2811 6.1/PG 2 expand Show data source
Purity
95+% expand Show data source
97% expand Show data source
98% expand Show data source
Empirical Formula (Hill Notation)
C10H13FN2 · 2HCl expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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