1-Boc-4-(4-bromophenyl)-4-hydroxypiperidine supplier

Name
1-BOC-4-(4-BROMO-PHENYL)-PIPERIDIN-4-OL
EINECS
CAS No. 163209-96-9
Article Data15
CAS DataBase
Density 1.367 g/cm³
Solubility
Melting Point
Formula C₁₆H₂₂BrNO₃
Boiling Point 438.1 °C at 760 mmHg
Molecular Weight 356.26
Flash Point 218.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-(4-Bromophenyl)-4-hydroxypiperidine-1-carboxylicacid tert-butyl ester;tert-Butyl 4-(4-bromophenyl)-4-hydroxypiperidine-1-carboxylate;1-Boc-4-(4-bromo-phenyl)-piperidin-4-ol;
PSA 49.77000
LogP 3.60550

1-Boc-4-(4-bromophenyl)-4-hydroxypiperidine Specification

The 1-Piperidinecarboxylicacid, 4-(4-bromophenyl)-4-hydroxy-, 1,1-dimethylethyl ester, with the CAS registry number 163209-96-9, is also known as 4-(4-Bromophenyl)-4-hydroxypiperidine-1-carboxylicacid tert-butyl ester. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C₁₆H₂₂BrNO₃ and molecular weight is 356.25. What's more, its systematic name is tert-butyl 4-(4-bromophenyl)-4-hydroxypiperidine-1-carboxylate.

Physical properties of 1-Piperidinecarboxylicacid, 4-(4-bromophenyl)-4-hydroxy-, 1,1-dimethylethyl ester are: (1)ACD/LogP: 3.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.17; (4)ACD/LogD (pH 7.4): 3.17; (5)ACD/BCF (pH 5.5): 150.2; (6)ACD/BCF (pH 7.4): 150.2; (7)ACD/KOC (pH 5.5): 1257.99; (8)ACD/KOC (pH 7.4): 1257.99; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 49.77 Å²; (13)Index of Refraction: 1.566; (14)Molar Refractivity: 85.07 cm³; (15)Molar Volume: 260.4 cm³; (16)Polarizability: 33.72×10^-24cm³; (17)Surface Tension: 48.4 dyne/cm; (18)Density: 1.367 g/cm³; (19)Flash Point: 218.7 °C; (20)Enthalpy of Vaporization: 73.23 kJ/mol; (21)Boiling Point: 438.1 °C at 760 mmHg; (22)Vapour Pressure: 1.9E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc(cc1)C2(O)CCN(CC2)C(=O)OC(C)(C)C
(2)Std. InChI: InChI=1S/C16H22BrNO3/c1-15(2,3)21-14(19)18-10-8-16(20,9-11-18)12-4-6-13(17)7-5-12/h4-7,20H,8-11H2,1-3H3
(3)Std. InChIKey: ZXVYIHCSSJUVBB-UHFFFAOYSA-N

Product Name

1-BOC-4-(4-BROMO-PHENYL)-PIPERIDIN-4-OL

1-Boc-4-(4-bromophenyl)-4-hydroxypiperidine Specification

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