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869901-78-0

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Basic Information
CAS No.: 869901-78-0
Name: (S)-1-ETHYL-5-METHYLPIPERAZIN-2-ONE
Molecular Structure:
Molecular Structure of 869901-78-0 ((S)-1-ETHYL-5-METHYLPIPERAZIN-2-ONE)
Formula: C7H14N2O
Molecular Weight: 142.201
Synonyms: Piperazinone,1-ethyl-5-methyl-, (5S)- (9CI);(5S)-1-Ethyl-5-methylpiperazin-2-one;
Density: 0.963 g/cm3
Boiling Point: 258.9 °C at 760 mmHg
Flash Point: 110.4 °C
PSA: 32.34000
LogP: 0.09330
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Specification

The 2-Piperazinone,1-ethyl-5-methyl-, (5S)-, with CAS registry number 869901-78-0, has the systematic name of (5S)-1-ethyl-5-methyl-piperazin-2-one. Besides this, it is also called (S)-1-Ethyl-5-methylpiperazin-2-one. And the chemical formula of this chemical is C7H14N2O.

Physical properties of 2-Piperazinone,1-ethyl-5-methyl-, (5S)-: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 3; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 1; (5)Polar Surface Area: 32.34 Å2; (6)Index of Refraction: 1.448; (7)Molar Refractivity: 39.52 cm3; (8)Molar Volume: 147.6 cm3; (9)Polarizability: 15.66×10-24cm3; (10)Surface Tension: 27.6 dyne/cm; (11)Density: 0.963 g/cm3; (12)Flash Point: 110.4 °C; (13)Enthalpy of Vaporization: 49.65 kJ/mol; (14)Boiling Point: 258.9 °C at 760 mmHg; (15)Vapour Pressure: 0.0134 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCN1C[C@H](C)NCC1=O
(2)InChI: InChI=1/C7H14N2O/c1-3-9-5-6(2)8-4-7(9)10/h6,8H,3-5H2,1-2H3/t6-/m0/s1
(3)InChIKey: HKAYDMPIWDDERB-LURJTMIEBD
(4)Std. InChI: InChI=1S/C7H14N2O/c1-3-9-5-6(2)8-4-7(9)10/h6,8H,3-5H2,1-2H3/t6-/m0/s1
(5)Std. InChIKey: HKAYDMPIWDDERB-LURJTMIESA-N