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3-Pyridinecarbonitrile,6-(1-piperazinyl)-

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Name

3-Pyridinecarbonitrile,6-(1-piperazinyl)-

EINECS N/A
CAS No. 149554-29-0 Density 1.22 g/cm3
PSA 51.95000 LogP 0.75668
Solubility N/A Melting Point 131 °C
Formula C10H12N4 Boiling Point 403.2 °C at 760 mmHg
Molecular Weight 188.232 Flash Point 197.6 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 149554-29-0 (6-PIPERAZINONICOTINONITRILE) Hazard Symbols IrritantXi
Synonyms

1-(5-Cyanopyridin-2-yl)piperazine;2-Piperazinopyridine-5-carbonitrile;6-(Piperazin-1-yl)nicotinonitrile;6-(Piperazin-1-yl)pyridine-3-carbonitrile;N-(5-Cyano-2-pyridyl)piperazine;

Article Data 6

3-Pyridinecarbonitrile,6-(1-piperazinyl)- Specification

The 3-Pyridinecarbonitrile,6-(1-piperazinyl)-, with the CAS registry number 149554-29-0, is also known as 2-(1-Piperazino)pyridine-5-carbonitrile. It belongs to the product categories of Piperidine; Pharmacetical; Piperazines. This chemical's molecular formula is C10H12N4 and molecular weight is 188.2291. Its IUPAC name is called 6-piperazin-1-ylpyridine-3-carbonitrile.

Physical properties of 3-Pyridinecarbonitrile,6-(1-piperazinyl)-: (1)ACD/LogP: 0.41; (2)ACD/LogD (pH 5.5): -1.76; (3)ACD/LogD (pH 7.4): -0.07; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 13.09; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.605; (12)Molar Refractivity: 53.12 cm3; (13)Molar Volume: 154 cm3; (14)Surface Tension: 61.8 dyne/cm; (15)Density: 1.22 g/cm3; (16)Flash Point: 197.6 °C; (17)Enthalpy of Vaporization: 65.44 kJ/mol; (18)Boiling Point: 403.2 °C at 760 mmHg; (19)Vapour Pressure: 1.04E-06 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CN(CCN1)C2=NC=C(C=C2)C#N
(2)InChI: InChI=1S/C10H12N4/c11-7-9-1-2-10(13-8-9)14-5-3-12-4-6-14/h1-2,8,12H,3-6H2
(3)InChIKey: ZYNPMKJQFWNFMI-UHFFFAOYSA-N

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