1-(2-Furoyl)piperazine - CAS 40172-95-0

Catalog:	BB024347
Product Name:	1-(2-Furoyl)piperazine
CAS:	40172-95-0
Synonyms:	furan-2-yl(piperazin-1-yl)methanone

Technical Data

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Computed Properties

IUPAC Name:	furan-2-yl(piperazin-1-yl)methanone
Description:	One impurity of Terazosin, which is a piperazine derivative and has been found to be an α-1-adrenergicblocker.
Molecular Weight:	180.20
Molecular Formula:	C9H12N2O2
Canonical SMILES:	C1CN(CCN1)C(=O)C2=CC=CO2
InChI:	InChI=1S/C9H12N2O2/c12-9(8-2-1-7-13-8)11-5-3-10-4-6-11/h1-2,7,10H,3-6H2
InChI Key:	SADPINFEWFPMEA-UHFFFAOYSA-N
Boiling Point:	320.3 °C at 760 mmHg
Purity:	> 95 %
Density:	1.175 g/cm³
Appearance:	Off-white to pale yellow solid
MDL:	MFCD00038831
LogP:	0.59170

Publication Number	Title	Priority Date
CN-113264903-A	Phenothiazine compound and preparation method and application thereof	20210527
WO-2021194326-A1	Aminopyrimidine derivatives and their use as aryl hydrocarbon receptor modulators	20200327
CN-111138358-A	USP8 inhibitor and preparation method and application thereof	20191217
CN-110590708-A	Aroyl piperazine compound, preparation method thereof and application thereof in antivirus	20190924
CN-110590708-B	Aroyl piperazine compound, preparation method thereof and application thereof in antivirus	20190924

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Related Functional Groups

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GHS Hazard Statement:	H315 (98.89%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	190
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	180.089877630
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	180.089877630
Rotatable Bond Count:	1
Topological Polar Surface Area:	45.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.1