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900512-07-4

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Basic Information
CAS No.: 900512-07-4
Name: 1-Benzyl-4-(2-chlorophenoxy)piperidine
Molecular Structure:
Molecular Structure of 900512-07-4 (1-Benzyl-4-(2-chlorophenoxy)piperidine)
Formula: C18H20ClNO
Molecular Weight: 301.816
Synonyms: 1-Benzyl-4-(2-chlorophenoxy)piperidine;4-(2-Chlorophenoxy)-1-(phenylmethyl)piperidine;
Density: 1.173 g/cm3
Boiling Point: 404.5 °C at 760 mmHg
Flash Point: 198.4 °C
PSA: 12.47000
LogP: 4.32130
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Specification

The 1-Benzyl-4-(2-chlorophenoxy)piperidine with the CAS number 900512-07-4 is also called 4-(2-Chlorophenoxy)-1-(phenylmethyl)piperidine. The systematic name is piperidine, 4-(2-chlorophenoxy)-1-(phenylmethyl)-. Its molecular formula is C18H20ClNO.

The properties of the chemical are: (1)ACD/LogP: 4.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.28; (4)ACD/LogD (pH 7.4): 3.97; (5)ACD/BCF (pH 5.5): 9.45; (6)ACD/BCF (pH 7.4): 460.08; (7)ACD/KOC (pH 5.5): 41.04; (8)ACD/KOC (pH 7.4): 1998.3; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.591; (14)Molar Refractivity: 86.98 cm3; (15)Molar Volume: 257.2 cm3; (16)Polarizability: 34.48×10-24cm3; (17)Surface Tension: 46 dyne/cm; (18)Enthalpy of Vaporization: 65.59 kJ/mol; (19)Vapour Pressure: 9.42×10-7 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc(cc1)CN2CCC(CC2)Oc3ccccc3Cl
(2)InChI: InChI=1/C18H20ClNO/c19-17-8-4-5-9-18(17)21-16-10-12-20(13-11-16)14-15-6-2-1-3-7-15/h1-9,16H,10-14H2
(3)InChIKey: YPYBNRKJHBOAQK-UHFFFAOYAO