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3-(4-Bromophenyl)piperidine

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Name

3-(4-Bromophenyl)piperidine

EINECS N/A
CAS No. 769944-72-1 Density 1.313g/cm3
PSA 12.03000 LogP 3.24490
Solubility N/A Melting Point N/A
Formula C11H14BrN Boiling Point 310.9 °C at 760 mmHg
Molecular Weight 240.143 Flash Point 141.8 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 769944-72-1 (Piperidine, 3-(4-bromophenyl)-) Hazard Symbols N/A
Synonyms

3-(4-Bromophenyl)piperidine;

Article Data 5

3-(4-Bromophenyl)piperidine Specification

The 3-(4-Bromophenyl)piperidine, with cas registry number 769944-72-1, has the systematic name of piperidine, 3-(4-bromophenyl)-. And its IUPAC name is 3-(4-bromophenyl)piperidine.

Physical properties about this chemical are: (1)ACD/LogP: 3.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.22; (4)ACD/LogD (pH 7.4): 0.44; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.22; (8)ACD/KOC (pH 7.4): 2.02; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 12.03 Å2; (13)Index of Refraction: 1.553; (14)Molar Refractivity: 58.54 cm3; (15)Molar Volume: 182.8 cm3; (16)Polarizability: 23.2×10-24cm3; (17)Surface Tension: 38.9 dyne/cm; (18)Enthalpy of Vaporization: 55.17 kJ/mol; (19)Vapour Pressure: 0.000584 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: c1cc(ccc1C2CCCNC2)Br
(2)InChI: InChI=1/C11H14BrN/c12-11-5-3-9(4-6-11)10-2-1-7-13-8-10/h3-6,10,13H,1-2,7-8H2
(3)InChIKey: SZTZMTODFHPUHI-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C11H14BrN/c12-11-5-3-9(4-6-11)10-2-1-7-13-8-10/h3-6,10,13H,1-2,7-8H2
(5)Std. InChIKey: SZTZMTODFHPUHI-UHFFFAOYSA-N

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