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56621-48-8 molecular structure
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4-(piperazin-1-yl)phenol

ChemBase ID: 68840
Molecular Formular: C10H14N2O
Molecular Mass: 178.23096
Monoisotopic Mass: 178.11061308
SMILES and InChIs

SMILES:
N1(CCNCC1)c1ccc(cc1)O
Canonical SMILES:
Oc1ccc(cc1)N1CCNCC1
InChI:
InChI=1S/C10H14N2O/c13-10-3-1-9(2-4-10)12-7-5-11-6-8-12/h1-4,11,13H,5-8H2
InChIKey:
GPEOAEVZTOQXLG-UHFFFAOYSA-N

Cite this record

CBID:68840 http://www.chembase.cn/molecule-68840.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(piperazin-1-yl)phenol
IUPAC Traditional name
4-(piperazin-1-yl)phenol
Synonyms
4-(Piperazin-1-yl)phenol
1-(4-Hydroxyphenyl)piperazine 98%
1-(4-Hydroxyphenyl)piperazine
4-(1-Piperazino)phenol
4-(1-Piperazinyl)phenol
1-(4-Hydroxyphenyl)piperazine
4-Piperazinophenol
1-(4-Hydroxyphenyl)piperazine
4-1-哌嗪苯酚
4-(1-哌嗪基)苯酚
1-对羟基苯基哌嗪
CAS Number
56621-48-8
EC Number
260-289-6
MDL Number
MFCD00066156
Beilstein Number
150964
PubChem SID
24887225
162034570
PubChem CID
92467

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.3171215  H Acceptors
H Donor LogD (pH = 5.5) -1.7720954 
LogD (pH = 7.4) -0.26652226  Log P 1.0325403 
Molar Refractivity 53.2229 cm3 Polarizability 20.234575 Å3
Polar Surface Area 35.5 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
210°C expand Show data source
218-224°C expand Show data source
220-225 °C expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
X expand Show data source
Irritant Irritant (Xi) expand Show data source
UN Number
UN3263 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
8 expand Show data source
Packing Group
III expand Show data source
Risk Statements
22-34 expand Show data source
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
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
GHS06 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H301-H314-H318 expand Show data source
H315-H319-H335 expand Show data source
GHS Precautionary statements
P260-P301+P310-P303+P361+P353-P305+P351+P338-P405-P501A expand Show data source
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
≥98.0% (NT) expand Show data source
95+% expand Show data source
97% expand Show data source
98% expand Show data source
Empirical Formula (Hill Notation)
C10H14N2O expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 77732 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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