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345310-98-7

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Basic Information
CAS No.: 345310-98-7
Name: Piperazinone, 1-(2-pyridinyl)- (9CI)
Article Data: 4
Molecular Structure:
Molecular Structure of 345310-98-7 (Piperazinone, 1-(2-pyridinyl)- (9CI))
Formula: C9H11N3O
Molecular Weight: 177.206
Synonyms: Piperazinone,1-(2-pyridinyl)- (9CI);1-(Pyridin-2-yl)piperazin-2-one;Piperazinone, 1-(2-pyridinyl);
Density: 1.202 g/cm3
Boiling Point: 432.539 °C at 760 mmHg
Flash Point: 215.392 °C
PSA: 45.23000
LogP: 0.41160
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Specification

The 2-Piperazinone,1-(2-pyridinyl)-, with the CAS registry number 345310-98-7, is also known as Piperazinone, 1-(2-pyridinyl)- (9CI). It belongs to the product category of Piperidine. This chemical's molecular formula is C9H11N3O and molecular weight is 177.20. What's more, its systematic name is 1-(Pyridin-2-yl)piperazin-2-one.

Physical properties of 2-Piperazinone,1-(2-pyridinyl)- are: (1)ACD/LogP: 0.33; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 6; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 45.23 Å2; (11)Index of Refraction: 1.565; (12)Molar Refractivity: 48.027 cm3; (13)Molar Volume: 147.456 cm3; (14)Polarizability: 19.04×10-24 cm3; (15)Surface Tension: 48.782 dyne/cm; (16)Density: 1.202 g/cm3; (17)Flash Point: 215.392 °C; (18)Enthalpy of Vaporization: 68.834 kJ/mol; (19)Boiling Point: 432.539 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2CNCCN2c1ncccc1
(2)InChI: InChI=1S/C9H11N3O/c13-9-7-10-5-6-12(9)8-3-1-2-4-11-8/h1-4,10H,5-7H2
(3)InChIKey: YAXQKAGUVNHYNL-UHFFFAOYSA-N