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111760-37-3 molecular structure
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2-(furan-2-yl)piperazine

ChemBase ID: 22363
Molecular Formular: C8H12N2O
Molecular Mass: 152.19368
Monoisotopic Mass: 152.09496301
SMILES and InChIs

SMILES:
c1cc(oc1)C1CNCCN1
Canonical SMILES:
C1CNC(CN1)c1ccco1
InChI:
InChI=1S/C8H12N2O/c1-2-8(11-5-1)7-6-9-3-4-10-7/h1-2,5,7,9-10H,3-4,6H2
InChIKey:
LOKVZWIGUJYFLY-UHFFFAOYSA-N

Cite this record

CBID:22363 http://www.chembase.cn/molecule-22363.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(furan-2-yl)piperazine
IUPAC Traditional name
2-(furan-2-yl)piperazine
Synonyms
2-Furane-2-yl-piperazine
2-(2-Furyl)piperazine
2-(2-Furyl)piperazine
2-(2-呋喃)哌嗪
CAS Number
111760-37-3
EC Number
None
MDL Number
MFCD06660430
PubChem SID
160985670
PubChem CID
16740777

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.661118  LogD (pH = 7.4) -0.96939945 
Log P 0.11568  Molar Refractivity 42.1225 cm3
Polarizability 16.876715 Å3 Polar Surface Area 37.2 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
85-88°C expand Show data source
Storage Warning
IRRITANT expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
95% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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