CAS No.201594-84-5,(S)-2-[(4-Chlorophenyl)(4-piperidinyloxy)methyl]pyridine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	201594-84-5
Name:	(S)-2-[(4-Chlorophenyl)(4-piperidinyloxy)methyl]pyridine

Formula:	C₁₇H₁₉ClN₂O
Molecular Weight:	302.80
Synonyms:	2-[(S)-(4-chlorophenyl)(piperidin-4-yloxy)methyl]pyridine;pyridine, 2-[(S)-(4-chlorophenyl)(4-piperidinyloxy)methyl]-;
EINECS:	1308068-626-2
Density:	1.21 g/cm³
Boiling Point:	421.7 °C at 760 mmHg
Flash Point:	208.8 °C
PSA:	34.15000
LogP:	3.92180

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Specification

The (S)-2-[(4-Chlorophenyl)(4-piperidinyloxy)methyl]pyridine, with the CAS registry number 201594-84-5, has the systematic name of 2-[(S)-(4-chlorophenyl)(piperidin-4-yloxy)methyl]pyridine. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₁₇H₁₉ClN₂O.

The characteristics of (S)-2-[(4-Chlorophenyl)(4-piperidinyloxy)methyl]pyridine are as followings: (1)ACD/LogP: 3.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.16; (4)ACD/LogD (pH 7.4): 0.7; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.14; (8)ACD/KOC (pH 7.4): 3.92; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 25.36 Å²; (13)Index of Refraction: 1.6; (14)Molar Refractivity: 85.17 cm³; (15)Molar Volume: 248.7 cm³; (16)Polarizability: 33.76×10^-24cm³; (17)Surface Tension: 51.2 dyne/cm; (18)Density: 1.21 g/cm³; (19)Flash Point: 208.8 °C; (20)Enthalpy of Vaporization: 67.57 kJ/mol; (21)Boiling Point: 421.7 °C at 760 mmHg; (22)Vapour Pressure: 2.56E-07 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1ccc(cc1)[C@H](OC2CCNCC2)c3ncccc3
(2)InChI: InChI=1/C17H19ClN2O/c18-14-6-4-13(5-7-14)17(16-3-1-2-10-20-16)21-15-8-11-19-12-9-15/h1-7,10,15,17,19H,8-9,11-12H2/t17-/m0/s1
(3)InChIKey: OTZYADIPHOGUDN-KRWDZBQOBD