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CAS No.: | 109814-50-8 |
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Name: | Octahydro-4H-pyrido[1,2-a]pyrazin-4-one |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C8H14N2O |
Molecular Weight: | 154.21 |
Synonyms: | 4H-Pyrido[1,2-a]pyrazin-4-one, octahydro;Hexahydro-1H-pyrido[1,2-a]pyrazin-4(6H)-one;MFCD09878611; |
Density: | 1.137 g/cm3 |
Boiling Point: | 298.976 °C at 760 mmHg |
Flash Point: | 134.616 °C |
PSA: | 32.34000 |
LogP: | 0.23740 |
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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