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Name |
Ethanone,1,1'-(1,4-piperazinediyl)bis- |
EINECS | N/A |
CAS No. | 18940-57-3 | Density | 1.126 g/cm3 |
PSA | 40.62000 | LogP | -0.42720 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H14N2O2 | Boiling Point | 365.2 °C at 760 mmHg |
Molecular Weight | 170.211 | Flash Point | 177.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
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; |
Article Data | 3 |
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. |