CAS No.769944-72-1,Piperidine, 3-(4-bromophenyl)- Suppliers

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Basic Information

Molecular Structure:
CAS No.:	769944-72-1
Name:	Piperidine, 3-(4-bromophenyl)-
Article Data:	5

Formula:	C₁₁H₁₄BrN
Molecular Weight:	240.143
Synonyms:	3-(4-Bromophenyl)piperidine;
Density:	1.313g/cm³
Boiling Point:	310.9 °C at 760 mmHg
Flash Point:	141.8 °C
PSA:	12.03000
LogP:	3.24490

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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