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CAS No.: | 769944-78-7 |
---|---|
Name: | 1-N-Boc-4-(4-Bromophenyl)piperidine |
Article Data: | 14 |
Molecular Structure: | |
Formula: | C16H22BrNO2 |
Molecular Weight: | 340.26 |
Synonyms: | 1-N-BOC-4-(4-BROMOPHENYL)PIPERIDINE;4-(4-BROMO-PHENYL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER;N-Boc-4-(4-broMophenyl)piperidine;1-Boc-4-(4-Bromo-phenyl)-piperidine |
Density: | 1.283 g/cm3 |
Boiling Point: | 398.5 °C at 760 mmHg |
Flash Point: | 194.8 °C |
PSA: | 29.54000 |
LogP: | 4.50150 |
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The 1-N-Boc-4-(4-Bromophenyl)piperidine is an organic compound with the formula C16H22BrNO2. The systematic name of this chemical is tert-butyl 4-(4-bromophenyl)piperidine-1-carboxylate. With the CAS registry number 769944-78-7, it is also named as 4-(4-Bromo-phenyl)-piperidine-1-carboxylic acid tert-butyl ester.
Physical properties about 1-N-Boc-4-(4-Bromophenyl)piperidine are: (1)ACD/LogP: 4.37; (2)ACD/LogD (pH 5.5): 4.37; (3)ACD/LogD (pH 7.4): 4.37; (4)#H bond acceptors: 3; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 29.54 Å2; (7)Index of Refraction: 1.543; (8)Molar Refractivity: 83.57 cm3; (9)Molar Volume: 265 cm3; (10)Polarizability: 33.13×10-24cm3; (11)Surface Tension: 41.2 dyne/cm; (12)Density: 1.283 g/cm3; (13)Flash Point: 194.8 °C; (14)Enthalpy of Vaporization: 64.91 kJ/mol; (15)Boiling Point: 398.5 °C at 760 mmHg; (16)Vapour Pressure: 1.46E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc(cc1)C2CCN(CC2)C(=O)OC(C)(C)C
(2)InChI: InChI=1/C16H22BrNO2/c1-16(2,3)20-15(19)18-10-8-13(9-11-18)12-4-6-14(17)7-5-12/h4-7,13H,8-11H2,1-3H3
(3)InChIKey: UEOHLUHRQWYQRT-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C16H22BrNO2/c1-16(2,3)20-15(19)18-10-8-13(9-11-18)12-4-6-14(17)7-5-12/h4-7,13H,8-11H2,1-3H3
(5)Std. InChIKey: UEOHLUHRQWYQRT-UHFFFAOYSA-N