1-Piperidinecarboxylicacid, 4-(4-bromobenzoyl)-, 1,1-dimethylethyl ester supplier

Name
1-BOC-4-(4-BROMO-BENZOYL)-PIPERIDINE
EINECS 200-589-5
CAS No. 439811-37-7
Article Data7
CAS DataBase
Density 1.325 g/cm³
Solubility
Melting Point
Formula C₁₇H₂₂BrNO₃
Boiling Point 452.3 °C at 760 mmHg
Molecular Weight 368.271
Flash Point 227.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-(4-Bromobenzoyl)piperidine-1-carboxylicacid tert-butyl ester;1-Boc-4-(4-Bromobenzoyl)piperidine;
PSA 46.61000
LogP 4.21680

1-Piperidinecarboxylicacid, 4-(4-bromobenzoyl)-, 1,1-dimethylethyl ester Specification

The 1-Piperidinecarboxylicacid, 4-(4-bromobenzoyl)-, 1,1-dimethylethyl ester, with the CAS registry number 439811-37-7, is also known as 1-Boc-4-(4-Bromobenzoyl)piperidine. This chemical's molecular formula is C₁₇H₂₂BrNO₃ and molecular weight is 368.27. Its systematic name is called tert-butyl 4-[(4-bromophenyl)carbonyl]piperidine-1-carboxylate.

Physical properties of 1-Piperidinecarboxylicacid, 4-(4-bromobenzoyl)-, 1,1-dimethylethyl ester: (1)ACD/LogP: 3.71; (2)ACD/LogD (pH 5.5): 3.7; (3)ACD/LogD (pH 7.4): 3.7; (4)ACD/BCF (pH 5.5): 385.11; (5)ACD/BCF (pH 7.4): 385.11; (6)ACD/KOC (pH 5.5): 2468.13; (7)ACD/KOC (pH 7.4): 2468.13; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 4; (10)Index of Refraction: 1.551; (11)Molar Refractivity: 88.77 cm³; (12)Molar Volume: 277.8 cm³; (13)Surface Tension: 44.3 dyne/cm; (14)Density: 1.325 g/cm³; (15)Flash Point: 227.3 °C; (16)Enthalpy of Vaporization: 71.15 kJ/mol; (17)Boiling Point: 452.3 °C at 760 mmHg; (18)Vapour Pressure: 2.27E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc(cc1)C(=O)C2CCN(CC2)C(=O)OC(C)(C)C
(2)InChI: InChI=1/C17H22BrNO3/c1-17(2,3)22-16(21)19-10-8-13(9-11-19)15(20)12-4-6-14(18)7-5-12/h4-7,13H,8-11H2,1-3H3
(3)InChIKey: CJXZBFPDZDHCJT-UHFFFAOYAH

Product Name

1-BOC-4-(4-BROMO-BENZOYL)-PIPERIDINE

1-Piperidinecarboxylicacid, 4-(4-bromobenzoyl)-, 1,1-dimethylethyl ester Specification

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