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393513-95-6

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Basic Information
CAS No.: 393513-95-6
Name: (3R)-1-(3-Chloropyridin-2-yl)-3-methylpiperazine
Article Data: 5
Molecular Structure:
Molecular Structure of 393513-95-6 ((3R)-1-(3-Chloropyridin-2-yl)-3-methylpiperazine)
Formula: C10H14ClN3
Molecular Weight: 211.694
Synonyms: (3R)-1-(3-Chloropyridin-2-yl)-3-methylpiperazine;
Density: 1.157g/cm3
Boiling Point: 335.148 °C at 760 mmHg
Flash Point: 156.492 °C
PSA: 28.16000
LogP: 1.92690
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Specification

The Piperazine,1-(3-chloro-2-pyridinyl)-3-methyl-, (3R)-, with CAS registry number 393513-95-6, belongs to the following product category: Pharmacetical. It has the systematic name of (3R)-1-(3-chloropyridin-2-yl)-3-methylpiperazine. And the chemical formula of this chemical is C10H14ClN3.

Physical properties of Piperazine,1-(3-chloro-2-pyridinyl)-3-methyl-, (3R)-: (1)ACD/LogP: 1.30; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 28.16 Å2; (7)Index of Refraction: 1.541; (8)Molar Refractivity: 57.5 cm3; (9)Molar Volume: 182.9 cm3; (10)Polarizability: 22.795×10-24cm3; (11)Surface Tension: 39.903 dyne/cm; (12)Density: 1.157 g/cm3; (13)Flash Point: 156.492 °C; (14)Enthalpy of Vaporization: 57.818 kJ/mol; (15)Boiling Point: 335.148 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:Clc1c(nccc1)N2C[C@H](NCC2)C
(2)InChI: InChI=1/C10H14ClN3/c1-8-7-14(6-5-12-8)10-9(11)3-2-4-13-10/h2-4,8,12H,5-7H2,1H3/t8-/m1/s1
(3)InChIKey: ZIHUFGHPYQTYIP-MRVPVSSYBL
(4)Std. InChI: InChI=1S/C10H14ClN3/c1-8-7-14(6-5-12-8)10-9(11)3-2-4-13-10/h2-4,8,12H,5-7H2,1H3/t8-/m1/s1
(5)Std. InChIKey: ZIHUFGHPYQTYIP-MRVPVSSYSA-N