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Cas Database |
| Name |
3-(4-Bromophenyl)piperidine-1-carboxylic acid tert-butyl ester |
EINECS | N/A |
| CAS No. | 769944-73-2 | Density | 1.283 g/cm3 |
| PSA | 29.54000 | LogP | 4.50150 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C16H22BrNO2 | Boiling Point | 398.5±42.0 °C(Predicted) |
| Molecular Weight | 340.26 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
tert-Butyl 3-(4-bromophenyl)piperidine-1-carboxylate; |
Article Data | 5 |
3-(4-Bromophenyl)piperidine-1-carboxylic acid tert-butyl ester Specification
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
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