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1722-14-1

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Basic Information
CAS No.: 1722-14-1
Name: 4-Chloro-6-piperidin-1-yl-pyrimidine
Article Data: 6
Molecular Structure:
Molecular Structure of 1722-14-1 (4-Chloro-6-piperidin-1-yl-pyrimidine)
Formula: C9H12ClN3
Molecular Weight: 197.66468
Synonyms: Pyrimidine,4-chloro-6-piperidino- (6CI,7CI,8CI);4-Chloro-6-(piperidin-1-yl)pyrimidine;
Density: 1.234 g/cm3
Melting Point: 78-79℃
Boiling Point: 341.4 °C at 760 mmHg
Flash Point: 160.3 °C
PSA: 29.02000
LogP: 2.18530
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Specification

The Pyrimidine,4-chloro-6-(1-piperidinyl)- is an organic compound with the formula C9H12ClN3. The systematic name of this chemical is 4-Chloro-6-(piperidin-1-yl)pyrimidine. With the CAS registry number 1722-14-1, it is also named as 4-Chloro-6-piperidin-1-yl-pyrimidine. Besides, its molecular weight is 197.66468.

Physical properties about Pyrimidine,4-chloro-6-(1-piperidinyl)- are: (1)ACD/LogP: 2.40; (2)ACD/LogD (pH 5.5): 2.39; (3)ACD/LogD (pH 7.4): 2.4; (4)ACD/BCF (pH 5.5): 38.49; (5)ACD/BCF (pH 7.4): 38.98; (6)ACD/KOC (pH 5.5): 472.92; (7)ACD/KOC (pH 7.4): 479.01; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 29.02 Å2; (11)Index of Refraction: 1.564; (12)Molar Refractivity: 52.14 cm3; (13)Molar Volume: 160 cm3; (14)Polarizability: 20.67×10-24 cm3; (15)Surface Tension: 51.5 dyne/cm; (16)Density: 1.234 g/cm3; (17)Flash Point: 160.3 °C; (18)Enthalpy of Vaporization: 58.51 kJ/mol; (19)Boiling Point: 341.4 °C at 760 mmHg; (20)Vapour Pressure: 8.05E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C9H12ClN3/c10-8-6-9(12-7-11-8)13-4-2-1-3-5-13/h6-7H,1-5H2
(2)InChIKey: MJONHQHUVJXBRU-UHFFFAOYAM
(3)Std. InChI: InChI=1S/C9H12ClN3/c10-8-6-9(12-7-11-8)13-4-2-1-3-5-13/h6-7H,1-5H2
(4)Std. InChIKey: MJONHQHUVJXBRU-UHFFFAOYSA-N