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39640-08-9

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Basic Information
CAS No.: 39640-08-9
Name: PIPERAZIN-1-YL-PYRIDIN-3-YL-METHANONE
Article Data: 11
Molecular Structure:
Molecular Structure of 39640-08-9 (PIPERAZIN-1-YL-PYRIDIN-3-YL-METHANONE)
Formula: C10H13N3O
Molecular Weight: 191.233
Synonyms: Piperazine,1-(3-pyridinylcarbonyl)- (9CI);(Piperazin-1-yl)(pyridin-3-yl)methanone;1-(3-Pyridinecarbonyl)piperazine;1-(3-Pyridyl)carbonylpiperazine;
Density: 1.167 g/cm3
Boiling Point: 366.9 °C at 760 mmHg
Flash Point: 175.7 °C
PSA: 45.23000
LogP: 0.39370
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Specification

The Methanone,1-piperazinyl-3-pyridinyl- is an organic compound with the formula C10H13N3O. The IUPAC name of this chemical is 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-phenothiazin-10-ylethanone. With the CAS registry number 39640-08-9, it is also named as Piperazin-1-yl(pyridin-3-yl)methanone. The product's category is Piperidine.

Physical properties about Methanone,1-piperazinyl-3-pyridinyl- are: (1)ACD/LogP: -1.31; (2)#H bond acceptors: 4; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 1; (5)Polar Surface Area: 36.44 Å2; (6)Index of Refraction: 1.561; (7)Molar Refractivity: 53.09 cm3; (8)Molar Volume: 163.7 cm3; (9)Polarizability: 21.04×10-24cm3; (10)Surface Tension: 47.4 dyne/cm; (11)Density: 1.167 g/cm3; (12)Flash Point: 175.7 °C; (13)Enthalpy of Vaporization: 61.34 kJ/mol; (14)Boiling Point: 366.9 °C at 760 mmHg; (15)Vapour Pressure: 1.42E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1cccnc1)N2CCNCC2
(2)InChI: InChI=1/C10H13N3O/c14-10(9-2-1-3-12-8-9)13-6-4-11-5-7-13/h1-3,8,11H,4-7H2
(3)InChIKey: VYSFCBZMPSKWOF-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C10H13N3O/c14-10(9-2-1-3-12-8-9)13-6-4-11-5-7-13/h1-3,8,11H,4-7H2
(5)Std. InChIKey: VYSFCBZMPSKWOF-UHFFFAOYSA-N