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59507-40-3

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Basic Information
CAS No.: 59507-40-3
Name: 1-(3-Bromobenzyl)piperidine
Article Data: 5
Molecular Structure:
Molecular Structure of 59507-40-3 (1-(3-Bromobenzyl)piperidine)
Formula: C12H16BrN
Molecular Weight: 254.17
Synonyms: 1-(3-Bromobenzyl)piperidine;1-(m-Bromobenzyl)piperidine;
Density: 1.323 g/cm3
Melting Point: 75 °C(Solv: ligroine (8032-32-4))
Boiling Point: 302.9 °C at 760 mmHg
Flash Point: 137 °C
Hazard Symbols: IrritantXi
PSA: 3.24000
LogP: 3.37290
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Specification

The Piperidine, 1-[(3-bromophenyl)methyl]-, with the CAS registry number of 59507-40-3, is also known as 1-(m-Bromobenzyl)piperidine. It belongs to the product categories of Amino; Aryl; Organohalides. This chemical's molecular formula is C12H16BrN and molecular weight is 254.1661. What's more, its systematic name is called 1-(3-Bromobenzyl)piperidine.

Physical properties about Piperidine, 1-[(3-bromophenyl)methyl]- are: (1)ACD/LogP: 3.53; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 3.24 Å2; (7)Index of Refraction: 1.575; (8)Molar Refractivity: 63.48 cm3; (9)Molar Volume: 192 cm3; (10)Surface Tension: 43 dyne/cm; (11)Density: 1.323 g/cm3; (12)Flash Point: 137 °C; (13)Enthalpy of Vaporization: 54.32 kJ/mol; (14)Boiling Point: 302.9 °C at 760 mmHg; (15)Vapour Pressure: 0.00096 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1cc(ccc1)CN2CCCCC2
(2) InChI: InChI=1/C12H16BrN/c13-12-6-4-5-11(9-12)10-14-7-2-1-3-8-14/h4-6,9H,1-3,7-8,10H2
(3) InChIKey: HQVJFZUPPAXRCS-UHFFFAOYAQ