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59215-40-6

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Basic Information
CAS No.: 59215-40-6
Name: PYRIMIDINE, 5-CHLORO-2-(1-PIPERAZINYL)-
Article Data: 2
Molecular Structure:
Molecular Structure of 59215-40-6 (PYRIMIDINE, 5-CHLORO-2-(1-PIPERAZINYL)-)
Formula: C8H11ClN4
Molecular Weight: 198.655
Synonyms: 1-(5-Chloro-2-pyrimidinyl)piperazine;
Density: 1.272 g/cm3
Boiling Point: 362.7 °C at 760 mmHg
Flash Point: 173.1 °C
PSA: 41.05000
LogP: 0.93340
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Specification

The Pyrimidine, 5-chloro-2-(1-piperazinyl)-, with the CAS registry number 59215-40-6, is also known as 1-(5-Chloro-2-pyrimidinyl)piperazine. This chemical's molecular formula is C8H11ClN4 and molecular weight is 198.66. What's more, its systematic name is 5-Chloro-2-piperazin-1-ylpyrimidine.

Physical properties about Pyrimidine, 5-chloro-2-(1-piperazinyl)- are: (1)ACD/LogP: 1.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 1.07; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 3.35; (6)ACD/KOC (pH 5.5): 2.14; (7)ACD/KOC (pH 7.4): 70.68; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 41.05 Å2; (12)Index of Refraction: 1.565; (13)Molar Refractivity: 50.88 cm3; (14)Molar Volume: 156.1 cm3; (15)Polarizability: 20.17×10-24 cm3; (16)Surface Tension: 50.9 dyne/cm; (17)Density: 1.272 g/cm3; (18)Flash Point: 173.1 °C; (19)Enthalpy of Vaporization: 60.86 kJ/mol; (20)Boiling Point: 362.7 °C at 760 mmHg; (21)Vapour Pressure: 1.9E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cnc(nc1)N2CCNCC2
(2) InChI: InChI=1/C8H11ClN4/c9-7-5-11-8(12-6-7)13-3-1-10-2-4-13/h5-6,10H,1-4H2
(3) InChIKey: CNHDTJAPQFANKE-UHFFFAOYAP