1-Acetylpiperazine - CAS 13889-98-0

Name: 1-Acetylpiperazine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Technical Data

IUPAC Name:	1-piperazin-1-ylethanone
Description:	1-Acetylpiperazine was used to study the physical stabilization or chemical degradation of concentrated solutions of polyaniline emeraldine base containing secondary amine additives. It was also used to study the structure-property relationships of surfaces that resist protein adsorption.
Molecular Weight:	128.17
Molecular Formula:	C6H12N2O
Canonical SMILES:	CC(=O)N1CCNCC1
InChI:	InChI=1S/C6H12N2O/c1-6(9)8-4-2-7-3-5-8/h7H,2-5H2,1H3
InChI Key:	PKDPUENCROCRCH-UHFFFAOYSA-N
Boiling Point:	257.9 °C at 760 mmHg
Melting Point:	31-34 °C
Purity:	98 %
Density:	1.027 g/cm³
Appearance:	Clear light yellow liquid after melting
Storage:	2-8 °C
MDL:	MFCD00058676
LogP:	-0.29520

GHS Hazard Statement:	H315 (100%): 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

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PMID	Publication Date	Title	Journal
24594353	20140401	Design and synthesis of novel 2H-chromen-2-one derivatives bearing 1,2,3-triazole moiety as lead antimicrobials	Bioorganic & medicinal chemistry letters
18720282	20080901	Strategies to prevent N-acetyltransferase-mediated metabolism in a series of piperazine-containing pyrazalopyrimidine compounds	Xenobiotica; the fate of foreign compounds in biological systems
18239303	20080201	Process development and large-scale synthesis of NK1 antagonist	Chemical & pharmaceutical bulletin
15993086	20051015	Design, synthesis, and evaluation of novel 2-substituted-4-aryl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,5]oxazocin-5-ones as NK1 antagonists	Bioorganic & medicinal chemistry

Complexity:	108
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	128.094963011
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	128.094963011
Rotatable Bond Count:	0
Topological Polar Surface Area:	32.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.9