Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4-(4-Methylpiperazino)benzonitrile |
EINECS | N/A |
CAS No. | 34334-28-6 | Density | 1.14 g/cm3 |
PSA | 30.27000 | LogP | 1.31298 |
Solubility | N/A | Melting Point |
104-105 ºC |
Formula | C12H15N3 | Boiling Point | 356.5 °C at 760 mmHg |
Molecular Weight | 201.271 | Flash Point | 156.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-(4-Methyl-1-piperazinyl)benzonitrile;4-(4-Methylpiperazino)benzonitrile;Benzonitrile,p-(4-methyl-1-piperazinyl)- (8CI); |
Article Data | 25 |
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