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651047-93-7

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Basic Information
CAS No.: 651047-93-7
Name: 2-Chloro-3-(3-methylpiperazin-1-yl)pyrazine
Molecular Structure:
Molecular Structure of 651047-93-7 (2-Chloro-3-(3-methylpiperazin-1-yl)pyrazine)
Formula: C9H13ClN4
Molecular Weight: 212.68
Synonyms: 2-chloro-3-(3-methylpiperazin-1-yl)pyrazine;
Density: 1.243 g/cm3
Boiling Point: 317.285 °C at 760 mmHg
Flash Point: 145.689 °C
PSA: 41.05000
LogP: 1.32190
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Specification

The Pyrazine, 2-chloro-3-(3-methyl-1-piperazinyl)- has CAS registry number 651047-93-7. This chemical's molecular formula is C9H13ClN4 and molecular weight is 212.68. What's more, its systematic name is 2-Chloro-3-(4-methylpiperazin-1-yl)pyrazine.

Physical properties of Pyrazine, 2-chloro-3-(3-methyl-1-piperazinyl)- are: (1)ACD/LogP: 0.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 11; (7)ACD/KOC (pH 5.5): 19; (8)ACD/KOC (pH 7.4): 185; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 32.26 Å2; (13)Index of Refraction: 1.566; (14)Molar Refractivity: 55.81 cm3; (15)Molar Volume: 171.154 cm3; (16)Polarizability: 22.125×10-24cm3; (17)Surface Tension: 50.099 dyne/cm; (18)Density: 1.243 g/cm3; (19)Flash Point: 145.689 °C; (20)Enthalpy of Vaporization: 55.869 kJ/mol; (21)Boiling Point: 317.285 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CN1CCN(CC1)c2nccnc2Cl
(2)Std. InChI: InChI=1S/C9H13ClN4/c1-13-4-6-14(7-5-13)9-8(10)11-2-3-12-9/h2-3H,4-7H2,1H3
(3)Std. InChIKey: QKGVXLAHFBSFHO-UHFFFAOYSA-N