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CAS No.: | 22005-33-0 |
---|---|
Name: | piperazine-1,4-dicarbonitrile |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C6H8N4 |
Molecular Weight: | 136.156 |
Synonyms: | 1,4-Dicyanopiperazine; |
EINECS: | 244-713-7 |
Density: | 1.23 g/cm3 |
Boiling Point: | 423.1 °C at 760 mmHg |
Flash Point: | 213.6 °C |
PSA: | 54.06000 |
LogP: | -0.55804 |
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The 1,4-Piperazinedicarbonitrile, with the CAS registry number of 22005-33-0, is also known as 1,4-Dicyanopiperazine. Its EINECS registry number is 244-713-7. This chemical's molecular formula is C6H8N4 and molecular weight is 136.15452. What's more, its IUPAC name is Piperazine-1,4-dicarbonitrile.
Physical properties about the 1,4-Piperazinedicarbonitrile are: (1)ACD/LogP: -0.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.73; (4)ACD/LogD (pH 7.4): -0.73; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 9.54; (8)ACD/KOC (pH 7.4): 9.54; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 54.06 Å2; (13)Index of Refraction: 1.555; (14)Molar Refractivity: 35.42 cm3; (15)Molar Volume: 110.2 cm3; (16)Surface Tension: 64.1 dyne/cm; (17)Density: 1.23 g/cm3; (18)Flash Point: 213.6 °C; (19)Enthalpy of Vaporization: 67.73 kJ/mol; (20)Boiling Point: 423.1 °C at 760 mmHg; (21)Vapour Pressure: 2.3E-07 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: N#CN1CCN(C#N)CC1
(2) InChI: InChI=1/C6H8N4/c7-5-9-1-2-10(6-8)4-3-9/h1-4H2
(3) InChIKey: LYNGZIQNNXHQLV-UHFFFAOYAE