4-(4-Methylpiperazino)benzonitrile supplier

Name
4-(4-METHYL-PIPERAZIN-1-YL)BENZONITRILE
EINECS
CAS No. 34334-28-6
Article Data25
CAS DataBase
Density 1.14 g/cm³
Solubility
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
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-(4-Methyl-1-piperazinyl)benzonitrile;4-(4-Methylpiperazino)benzonitrile;Benzonitrile,p-(4-methyl-1-piperazinyl)- (8CI);
PSA 30.27000
LogP 1.31298

4-(4-Methylpiperazino)benzonitrile Specification

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

Product Name

4-(4-METHYL-PIPERAZIN-1-YL)BENZONITRILE

4-(4-Methylpiperazino)benzonitrile Specification

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