Benzonitrile,3-(4-methyl-1-piperazinyl)- supplier

Name
3-(4-METHYLPIPERAZIN-1-YL)BENZONITRILE
EINECS
CAS No. 204078-35-3
Article Data9
CAS DataBase
Density 1.14 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₅N₃
Boiling Point 340.2 °C at 760 mmHg
Molecular Weight 201.271
Flash Point 146.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-(4-Methyl-1-piperazinyl)benzonitrile;
PSA 30.27000
LogP 1.31298

Benzonitrile,3-(4-methyl-1-piperazinyl)- Specification

The CAS registry number of Benzonitrile,3-(4-methyl-1-piperazinyl)- is 204078-35-3. It belongs to the product category of Boron, Nitrile, Thio, & TM-Cpds. This chemical's molecular formula is C₁₂H₁₅N₃ and molecular weight is 201.27. What's more, its systematic name is called 3-(4-Methylpiperazin-1-yl)benzonitrile.

Physical properties about Benzonitrile,3-(4-methyl-1-piperazinyl)- are: (1)ACD/LogP: 1.26; (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)Polarizability: 23.86×10^-24 cm³; (11)Surface Tension: 52.4 dyne/cm; (12)Density: 1.14 g/cm³; (13)Flash Point: 146.8 °C; (14)Enthalpy of Vaporization: 58.37 kJ/mol; (15)Boiling Point: 340.2 °C at 760 mmHg; (16)Vapour Pressure: 8.76E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: N#Cc1cc(ccc1)N2CCN(C)CC2
(2) InChI: InChI=1/C12H15N3/c1-14-5-7-15(8-6-14)12-4-2-3-11(9-12)10-13/h2-4,9H,5-8H2,1H3
(3) InChIKey: OLELRAIMBYZQJO-UHFFFAOYAB

Product Name

3-(4-METHYLPIPERAZIN-1-YL)BENZONITRILE

Benzonitrile,3-(4-methyl-1-piperazinyl)- Specification

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