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87394-48-7

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Basic Information
CAS No.: 87394-48-7
Name: 1-(3-Nitorpyridin-2-yl)piperazine
Article Data: 18
Molecular Structure:
Molecular Structure of 87394-48-7 (1-(3-Nitorpyridin-2-yl)piperazine)
Formula: C9H12N4O2
Molecular Weight: 208.22
Synonyms: 2-(1-Piperazinyl)-3-nitropyridine;2-Piperazino-3-nitropyridine;
EINECS: 201-215-5
Density: 1.278 g/cm3
Melting Point: 84-86 °C
Boiling Point: 387.8 °C at 760 mmHg
Flash Point: 188.4 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36/37
PSA: 73.98000
LogP: 1.31640
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Specification

The 1-(3-Nitorpyridin-2-yl)piperazine with its cas register number is 87394-48-7. It also can be called as Piperazine,1-(3-nitro-2-pyridinyl)- and the IUPAC Name about this chemical is 1-(3-nitropyridin-2-yl)piperazine. It belongs to the following product categories, such as pharmacetical, Pyridines and so on.

Physical properties about 1-(3-Nitorpyridin-2-yl)piperazine are: (1)ACD/LogP: 1.23; (2)#H bond acceptors: 6; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 2; (5)Polar Surface Area: 65.19Å2; (6)Index of Refraction: 1.583; (7)Molar Refractivity: 54.44 cm3; (8)Molar Volume: 162.7 cm3; (9)Polarizability: 21.58x10-24cm3; (10)Surface Tension: 54.1 dyne/cm; (11)Enthalpy of Vaporization: 63.7 kJ/mol; (12)Vapour Pressure: 3.2E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CN(CCN1)C2=C(C=CC=N2)[N+](=O)[O-]
(2)InChI: InChI=1S/C9H12N4O2/c14-13(15)8-2-1-3-11-9(8)12-6-4-10-5-7-12/h1-3,10H,4-7H2
(3)InChIKey: HSAKGWZDXDRYTB-UHFFFAOYSA-N