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832735-41-8

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Basic Information
CAS No.: 832735-41-8
Name: 4-(5-Bromopyrimidin-2-yloxy)piperidine-1-carboxylic acid tert-butyl
Article Data: 5
Molecular Structure:
Molecular Structure of 832735-41-8 (4-(5-Bromopyrimidin-2-yloxy)piperidine-1-carboxylic acid tert-butyl)
Formula: C14H20BrN3O3
Molecular Weight: 358.235
Synonyms: tert-Butyl 4-[(5-bromopyrimidin-2-yl)oxy]piperidine-1-carboxylate;1-Boc-4-(5-bromopyrimidin-2-yloxy)piperidine;4-(5-Bromopyrimidin-2-Yloxy)Piperidine-1-Carboxylicacidtert-Butyl ester;4-(5-Bromopyrimidin-2-yloxy)piperidine-1-carboxylic acid tert-butyl;
Density: 1.394 g/cm3
Boiling Point: 451.6 °C at 760 mmHg
Flash Point: 226.9 °C
PSA: 64.55000
LogP: 2.95530
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Specification

The 1-Piperidinecarboxylicacid, 4-[(5-bromo-2-pyrimidinyl)oxy]-, 1,1-dimethylethyl ester, with the CAS registry number 832735-41-8, is also known as 1-Boc-4-(5-bromopyrimidin-2-yloxy)piperidine. This chemical's molecular formula is C14H20BrN3O3 and molecular weight is 358.23. What's more, its systematic name is tert-butyl 4-[(5-bromopyrimidin-2-yl)oxy]piperidine-1-carboxylate.

Physical properties of 1-Piperidinecarboxylicacid, 4-[(5-bromo-2-pyrimidinyl)oxy]-, 1,1-dimethylethyl ester are: (1)ACD/LogP: 2.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.55; (4)ACD/LogD (pH 7.4): 2.55; (5)ACD/BCF (pH 5.5): 50.78; (6)ACD/BCF (pH 7.4): 50.78; (7)ACD/KOC (pH 5.5): 578.83; (8)ACD/KOC (pH 7.4): 578.83; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 64.55 Å2; (13)Index of Refraction: 1.548; (14)Molar Refractivity: 81.6 cm3; (15)Molar Volume: 256.8 cm3; (16)Polarizability: 32.35×10-24cm3; (17)Surface Tension: 50.1 dyne/cm; (18)Density: 1.394 g/cm3; (19)Flash Point: 226.9 °C; (20)Enthalpy of Vaporization: 71.07 kJ/mol; (21)Boiling Point: 451.6 °C at 760 mmHg; (22)Vapour Pressure: 2.4E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cnc(nc1)OC2CCN(CC2)C(=O)OC(C)(C)C
(2)InChI: InChI=1S/C14H20BrN3O3/c1-14(2,3)21-13(19)18-6-4-11(5-7-18)20-12-16-8-10(15)9-17-12/h8-9,11H,4-7H2,1-3H3
(3)InChIKey: LATUROZPOJVDKS-UHFFFAOYSA-N