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Octahydro-4H-pyrido[1,2-a]pyrazin-4-one

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Name

Octahydro-4H-pyrido[1,2-a]pyrazin-4-one

EINECS N/A
CAS No. 109814-50-8 Density 1.137 g/cm3
PSA 32.34000 LogP 0.23740
Solubility N/A Melting Point N/A
Formula C8H14N2O Boiling Point 298.976 °C at 760 mmHg
Molecular Weight 154.21 Flash Point 134.616 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 109814-50-8 (Octahydro-4H-pyrido[1,2-a]pyrazin-4-one) Hazard Symbols N/A
Synonyms

4H-Pyrido[1,2-a]pyrazin-4-one, octahydro;Hexahydro-1H-pyrido[1,2-a]pyrazin-4(6H)-one;MFCD09878611;

Article Data 2

Octahydro-4H-pyrido[1,2-a]pyrazin-4-one Specification

The 4H-Pyrido[1,2-a]pyrazin-4-one,octahydro-, with the CAS registry number 109814-50-8, is also known as Hexahydro-1H-pyrido[1,2-a]pyrazin-4(6H)-one. It belongs to the product category of Piperidine. This chemical's molecular formula is C8H14N2O and molecular weight is 154.21. What's more, its systematic name is octahydro-4H-pyrido[1,2-a]pyrazin-4-one.

Physical properties of 4H-Pyrido[1,2-a]pyrazin-4-one,octahydro- are: (1)ACD/LogP: -0.12; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 7; (6)#H bond acceptors: 3; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 0; (9)Polar Surface Area: 32.34 Å2; (10)Index of Refraction: 1.541; (11)Molar Refractivity: 42.626 cm3; (12)Molar Volume: 135.633 cm3; (13)Surface Tension: 43.872 dyne/cm; (14)Density: 1.137 g/cm3; (15)Flash Point: 134.616 °C; (16)Enthalpy of Vaporization: 53.894 kJ/mol; (17)Boiling Point: 298.976 °C at 760 mmHg; (18)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2CNCC1CCCCN12
(2)InChI: InChI=1S/C8H14N2O/c11-8-6-9-5-7-3-1-2-4-10(7)8/h7,9H,1-6H2
(3)InChIKey: DPTQSVONRGAROK-UHFFFAOYSA-N

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