CAS No.187589-36-2,2-Cyanopiperazine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	187589-36-2
Name:	2-Cyanopiperazine
Article Data:	7

Formula:	C₅H₉N₃
Molecular Weight:	111.147
Synonyms:	2-Cyanopiperazine;
Density:	1.083 g/cm³
Boiling Point:	272.021 °C at 760 mmHg
Flash Point:	118.314 °C
PSA:	47.85000
LogP:	-0.27102

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Specification

The 2-Piperazinecarbonitrile, with the CAS registry number 187589-36-2, is also known as 2-Cyanopiperazine. It belongs to the product category of Piperazines. This chemical's molecular formula is C₅H₉N₃ and molecular weight is 111.14506. What's more, its systematic name is Piperazine-2-carbonitrile.

Physical properties about 2-Piperazinecarbonitrile: (1)ACD/LogP: -1.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4; (4)ACD/LogD (pH 7.4): -2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 47.85 Å²; (13)Index of Refraction: 1.504; (14)Molar Refractivity: 30.371 cm³; (15)Molar Volume: 102.627 cm³; (16)Surface Tension: 44.1 dyne/cm; (17)Density: 1.083 g/cm³; (18)Flash Point: 118.314 °C; (19)Enthalpy of Vaporization: 51.029 kJ/mol; (20)Boiling Point: 272.021 °C at 760 mmHg; (21)Vapour Pressure: 0.006 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: N#CC1NCCNC1
(2) InChI: InChI=1/C5H9N3/c6-3-5-4-7-1-2-8-5/h5,7-8H,1-2,4H2
(3) InChIKey: FXGJYEBAJZLAJX-UHFFFAOYAC