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CAS No.: | 34334-28-6 |
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Name: | 4-(4-METHYL-PIPERAZIN-1-YL)BENZONITRILE |
Article Data: | 25 |
Molecular Structure: | |
Formula: | C12H15N3 |
Molecular Weight: | 201.271 |
Synonyms: | 4-(4-Methyl-1-piperazinyl)benzonitrile;4-(4-Methylpiperazino)benzonitrile;Benzonitrile,p-(4-methyl-1-piperazinyl)- (8CI); |
Density: | 1.14 g/cm3 |
Melting Point: | 104-105 ºC |
Boiling Point: | 356.5 °C at 760 mmHg |
Flash Point: | 156.7 °C |
PSA: | 30.27000 |
LogP: | 1.31298 |
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The Benzonitrile,4-(4-methyl-1-piperazinyl)-, with the CAS registry number 34334-28-6, is also known as 4-(4-Methylpiperazino)benzonitrile. This chemical's molecular formula is C12H15N3 and molecular weight is 201.27. What's more, its systematic name is 4-(4-methylpiperazin-1-yl)benzonitrile.
Physical properties of Benzonitrile,4-(4-methyl-1-piperazinyl)- are: (1)ACD/LogP: 1.68; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 30.27 Å2; (7)Index of Refraction: 1.598; (8)Molar Refractivity: 60.18 cm3; (9)Molar Volume: 176.4 cm3; (10)Surface Tension: 52.4 dyne/cm; (11)Density: 1.14 g/cm3; (12)Flash Point: 156.7 °C; (13)Enthalpy of Vaporization: 60.18 kJ/mol; (14)Boiling Point: 356.5 °C at 760 mmHg; (15)Vapour Pressure: 2.91E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1ccc(cc1)N2CCN(C)CC2
(2)InChI: InChI=1S/C12H15N3/c1-14-6-8-15(9-7-14)12-4-2-11(10-13)3-5-12/h2-5H,6-9H2,1H3
(3)InChIKey: ZSDPKKGOSKXEHN-UHFFFAOYSA-N