4-Methyl-2-piperazin-1-yl-quinoline supplier

Name
4-Methyl-2-piperazin-1-yl-quinoline
EINECS
CAS No. 50693-78-2
Article Data6
CAS DataBase
Density 1.128 g/cm³
Solubility
Melting Point
Formula C₁₄H₁₇N₃
Boiling Point 432 °C at 760 mmHg
Molecular Weight 227.309
Flash Point 215 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Quinoline, 4-methyl-2-(1-piperazinyl)-;
PSA 28.16000
LogP 2.34660

4-Methyl-2-piperazin-1-yl-quinoline Specification

The 4-Methyl-2-piperazin-1-yl-quinoline, with the CAS registry number of 50693-78-2, is also known as Quinoline, 4-methyl-2-(1-piperazinyl)-. Its molecular formula is C₁₄H₁₇N₃ and molecular weight is 227.3. What's more, its systematic name is 4-Methyl-2-(piperazin-1-yl)quinoline. In addition, it must be stored in airtight containers and placed in a dry, cool place. Besides, you should ensure the work place is well-ventilated.

Physical properties about the 4-Methyl-2-piperazin-1-yl-quinoline are: (1)ACD/LogP: 2.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.75; (4)ACD/LogD (pH 7.4): 1.4; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 4.71; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 68.67; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 19.37 Å²; (13)Index of Refraction: 1.618; (14)Molar Refractivity: 70.56 cm³; (15)Molar Volume: 201.3 cm³; (16)Surface Tension: 47.1 dyne/cm; (17)Density: 1.128 g/cm³; (18)Flash Point: 215 °C; (19)Enthalpy of Vaporization: 68.77 kJ/mol; (20)Boiling Point: 432 °C at 760 mmHg; (21)Vapour Pressure: 1.15E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: n1c3c(c(cc1N2CCNCC2)C)cccc3
(2) InChI: InChI=1/C14H17N3/c1-11-10-14(17-8-6-15-7-9-17)16-13-5-3-2-4-12(11)13/h2-5,10,15H,6-9H2,1H3
(3) InChIKey: LCRABWZMGNEZJV-UHFFFAOYAR

Product Name

4-Methyl-2-piperazin-1-yl-quinoline

4-Methyl-2-piperazin-1-yl-quinoline Specification

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