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(S)-1,5-Diethylpiperazinone

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Name

(S)-1,5-Diethylpiperazinone

EINECS N/A
CAS No. 106576-36-7 Density 0.945 g/cm3
PSA 32.34000 LogP 0.48340
Solubility N/A Melting Point N/A
Formula C8H16N2O Boiling Point 274.8 °C at 760 mmHg
Molecular Weight 156.228 Flash Point 120 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 106576-36-7 ((S)-1,5-Diethylpiperazinone) Hazard Symbols N/A
Synonyms

(5S)-1,5-Diethylpiperazin-2-one;2-Piperazinone, 1,5-diethyl-, (5S)-;(S)-1,5-Diethylpiperazin-2-one;Piperazinone,1,5-diethyl-, (S)- (9CI);(S)-Piperazinone,1,5-diethyl;MFCD09878610;

 

(S)-1,5-Diethylpiperazinone Specification

The (S)-1,5-Diethylpiperazinone, with the CAS registry number 106576-36-7, is also known as (S)-Piperazinone,1,5-diethyl. It belongs to the product category of Piperidine. This chemical's molecular formula is C8H16N2O and molecular weight is 156.23. What's more, its systematic name is (5S)-1,5-diethylpiperazin-2-one. It is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. What's more, it should be protected from strong oxides.

Physical properties of (S)-1,5-Diethylpiperazinone are: (1)ACD/LogP: 0.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.22; (4)#H bond acceptors: 3; (5)#H bond donors: 1; (6)#Freely Rotating Bonds: 2; (7)Polar Surface Area: 32.34 Å2; (8)Index of Refraction: 1.447; (9)Molar Refractivity: 44.14 cm3; (10)Molar Volume: 165.1 cm3; (11)Surface Tension: 27.5 dyne/cm; (12)Density: 0.945 g/cm3; (13)Flash Point: 120 °C; (14)Enthalpy of Vaporization: 51.33 kJ/mol; (15)Boiling Point: 274.8 °C at 760 mmHg; (16)Vapour Pressure: 0.00528 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCN1C[C@H](CC)NCC1=O
(2)InChI: InChI=1S/C8H16N2O/c1-3-7-6-10(4-2)8(11)5-9-7/h7,9H,3-6H2,1-2H3/t7-/m0/s1
(3)InChIKey: IYZRHXDFJURKOL-ZETCQYMHSA-N

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