CAS No.18940-57-3,Piperazine, 1,4-diacetyl- (6CI,8CI,9CI) Suppliers

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Basic Information

Molecular Structure:
CAS No.:	18940-57-3
Name:	Piperazine, 1,4-diacetyl- (6CI,8CI,9CI)
Article Data:	3

Formula:	C₈H₁₄N₂O₂
Molecular Weight:	170.211
Synonyms:	Piperazine,1,4-diacetyl- (6CI,8CI,9CI);1,4-Diacetylpiperazine;N,N'-Diacetylpiperazine;N,N'-Piperazinebisacetamide;NSC 39650;NSC 54822;1-(4-Acetylpiperazin-1-yl)ethanone;
Density:	1.126 g/cm³
Boiling Point:	365.2 °C at 760 mmHg
Flash Point:	177.6 °C
PSA:	40.62000
LogP:	-0.42720

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Specification

The Ethanone,1,1'-(1,4-piperazinediyl)bis-, with the CAS registry number 18940-57-3, is also known as N,N'-Diacetylpiperazine. It belongs to the product category of Piperidine. This chemical's molecular formula is C₈H₁₄N₂O₂ and molecular weight is 170.21. What's more, its IUPAC name is 1-(4-acetylpiperazin-1-yl)ethanone. Its classification code is Drug / Therapeutic Agent.

Physical properties of Ethanone,1,1'-(1,4-piperazinediyl)bis- are: (1)ACD/LogP: -0.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.98; (4)ACD/LogD (pH 7.4): -0.98; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 7.01; (8)ACD/KOC (pH 7.4): 7.01; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 40.62 Å²; (13)Index of Refraction: 1.494; (14)Molar Refractivity: 43.99 cm³; (15)Molar Volume: 151 cm³; (16)Polarizability: 17.43×10^-24cm³; (17)Surface Tension: 41.6 dyne/cm; (18)Density: 1.126 g/cm³; (19)Flash Point: 177.6 °C; (20)Enthalpy of Vaporization: 61.14 kJ/mol; (21)Boiling Point: 365.2 °C at 760 mmHg; (22)Vapour Pressure: 1.6E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)N1CCN(CC1)C(=O)C
(2)InChI: InChI=1S/C8H14N2O2/c1-7(11)9-3-5-10(6-4-9)8(2)12/h3-6H2,1-2H3
(3)InChIKey: NBQBICYRKOTWRR-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	oral	5100mg/kg (5100mg/kg)		Journal of Medicinal Chemistry. Vol. 11, Pg. 801, 1968.