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67686-03-7

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Basic Information
CAS No.: 67686-03-7
Name: 1-BENZYL-4-(CHLOROMETHYL)PIPERIDINE HYDROCHLORIDE
Molecular Structure:
Molecular Structure of 67686-03-7 (1-BENZYL-4-(CHLOROMETHYL)PIPERIDINE HYDROCHLORIDE)
Formula: C13H18ClN
Molecular Weight: 223.7417
Synonyms: Piperidine, 4-(chloromethyl)-1-(phenylmethyl)-;
Density: 1.074 g/cm3
Melting Point: 137-139 °C(Solv: isopropanol (67-63-0))
Boiling Point: 306.9 °C at 760 mmHg
Flash Point: 139.4 °C
PSA: 3.24000
LogP: 3.87730
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Specification

The 1-Benzyl-4-(chloromethyl)piperidine, with the CAS registry number 67686-03-7, is also known as Piperidine, 4-(chloromethyl)-1-(phenylmethyl)-. This chemical's molecular formula is C13H18ClN and molecular weight is 223.7417. What's more, its systematic name is called 1-Benzyl-4-(chloromethyl)piperidine.

Physical properties about 1-Benzyl-4-(chloromethyl)piperidine are: (1)ACD/LogP: 3.08; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 3.24 Å2; (7)Index of Refraction: 1.539; (8)Molar Refractivity: 65.33 cm3; (9)Molar Volume: 208.2 cm3; (10)Surface Tension: 38.2 dyne/cm; (11)Density: 1.074 g/cm3; (12)Flash Point: 139.4 °C; (13)Enthalpy of Vaporization: 54.74 kJ/mol; (14)Boiling Point: 306.9 °C at 760 mmHg; (15)Vapour Pressure: 0.000751 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: ClCC2CCN(Cc1ccccc1)CC2
(2) InChI: InChI=1/C13H18ClN/c14-10-12-6-8-15(9-7-12)11-13-4-2-1-3-5-13/h1-5,12H,6-11H2
(3) InChIKey: JQRPAXCUPFDKRT-UHFFFAOYAE