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CAS No.: | 769944-73-2 |
---|---|
Name: | 3-(4-Bromophenyl)piperidine-1-carboxylic acid tert-butyl ester |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C16H22BrNO2 |
Molecular Weight: | 340.26 |
Synonyms: | tert-Butyl 3-(4-bromophenyl)piperidine-1-carboxylate; |
Density: | 1.283 g/cm3 |
Boiling Point: | 398.5±42.0 °C(Predicted) |
PSA: | 29.54000 |
LogP: | 4.50150 |
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With the CAS registry number 769944-73-2, the IUPAC name of 3-(4-Bromophenyl)piperidine-1-carboxylic acid tert-butyl ester is tert-Butyl 3-(4-bromophenyl)piperidine-1-carboxylate. The product's molecular formula is C16H22BrNO2 and its molecular weight is 340.26.
The other characteristics of 3-(4-Bromophenyl)piperidine-1-carboxylic acid tert-butyl ester can be summarized as: (1)XLogP3-AA: 4; (2)H-Bond Donor: 0; (3)H-Bond Acceptor: 2; (4)Rotatable Bond Count: 3; (5)Exact Mass: 339.083392; (6)MonoIsotopic Mass:339.083392; (7)Topological Polar Surface Area: 29.5; (8)Heavy Atom Count: 20; (9)Complexity: 332; (10)Density: 1.283 g/cm3.
People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: CC(C)(C)OC(=O)N1CCCC(C1)C2=CC=CC=C2)Br
(2)InChI: InChI=1S/C16H22BrNO2/c1-16(2,3)20-15(19)18-10-4-5-13(11-18)12-6-8-14(17)9-7-12/h6-9,13H,4-5,10-11H2,1-3H3
(3)InChIKey: WRSHWNCUNYWQBB-UHFFFAOYSA-N