Name: 2-Piperazin-1-ylnicotinamide
SKU: 87394-64-7

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Basic Information

Molecular Structure:
CAS No.:	87394-64-7
Name:	2-Piperazin-1-ylnicotinamide
Article Data:	3

Formula:	C₁₀H₁₄N₄O
Molecular Weight:	206.247
Synonyms:	3-pyridinecarboxamide, 2-(1-piperazinyl)-;2-(piperazin-1-yl)pyridine-3-carboxamide;2-Piperazin-1-yl-nicotinamide;
Density:	1.216 g/cm³
Boiling Point:	434.981 °C at 760 mmHg
Flash Point:	216.869 °C
PSA:	71.25000
LogP:	2.28820

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Specification

The CAS register number of 2-Piperazin-1-ylnicotinamide is 87394-64-7. It also can be called as 3-pyridinecarboxamide, 2-(1-piperazinyl)- and the systematic name about this chemical is 2-(piperazin-1-yl)pyridine-3-carboxamide. The molecular formula about this chemical is C₁₀H₁₄N₄O and molecular weight is 206.24.

Physical properties about 2-Piperazin-1-ylnicotinamide are: (1)ACD/LogP: -0.57; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 3; (6)#H bond acceptors: 5; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 71.25Å²; (10)Index of Refraction: 1.585; (11)Molar Refractivity: 56.827 cm³; (12)Molar Volume: 169.659 cm³; (13)Polarizability: 22.528x10^-24cm³; (14)Surface Tension: 52.978 dyne/cm; (15)Flash Point: 216.869 °C; (16)Enthalpy of Vaporization: 69.119 kJ/mol; (17)Boiling Point: 434.981 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: NC(=O)c1cccnc1N2CCNCC2
(2)InChI: InChI=1/C10H14N4O/c11-9(15)8-2-1-3-13-10(8)14-6-4-12-5-7-14/h1-3,12H,4-7H2,(H2,11,15)
(3)InChIKey: RYNARQDUUQTTFJ-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C10H14N4O/c11-9(15)8-2-1-3-13-10(8)14-6-4-12-5-7-14/h1-3,12H,4-7H2,(H2,11,15)
(5)Std. InChIKey: RYNARQDUUQTTFJ-UHFFFAOYSA-N