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| CAS No.: | 4096-20-2 |
|---|---|
| Name: | N-Phenylpiperidine |
| Article Data: | 315 |
| Molecular Structure: | |
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| Formula: | C11H15N |
| Molecular Weight: | 161.247 |
| Synonyms: | 1-Phenylpiperidine;N-Phenylpiperidine;NSC 53427; |
| EINECS: | 223-848-5 |
| Density: | 0.997 g/cm3 |
| Melting Point: | 4.7 °C |
| Boiling Point: | 258 °C at 760 mmHg |
| Flash Point: | 106.1 °C |
| Solubility: | 193 mg/L at 25 °C in water |
| PSA: | 3.24000 |
| LogP: | 2.74190 |
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Specification
The IUPAC name of N-Phenylpiperidine is 1-phenylpiperidine. With the CAS registry number 4096-20-2, it is also named as Piperidine, 1-phenyl-. In addition, its molecular formula is C11H15N and molecular weight is 161.25.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.58; (4)ACD/LogD (pH 7.4): 2.97; (5)ACD/BCF (pH 5.5): 43.47; (6)ACD/BCF (pH 7.4): 106.33; (7)ACD/KOC (pH 5.5): 399.45; (8)ACD/KOC (pH 7.4): 977.23; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.544; (14)Molar Refractivity: 51.06 cm3; (15)Molar Volume: 161.7 cm3; (16)Polarizability: 20.24×10-24cm3; (17)Surface Tension: 37.7 dyne/cm; (18)Density: 0.997 g/cm3; (19)Flash Point: 106.1 °C; (20)Enthalpy of Vaporization: 49.56 kJ/mol; (21)Boiling Point: 258 °C at 760 mmHg; (22)Vapour Pressure: 0.0141 mmHg at 25 °C.
Preparation of N-Phenylpiperidine: this chemical can be prepared by the reaction of piperidine with bromobenzene.
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This reaction needs t-BuOK and dimethylsulfoxide by heating for 5 min. The yield is 94 %.
Uses of N-Phenylpiperidine: it can react with iodomethane to get 1-methyl-1-phenyl-piperidinium; iodide.
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This reaction needs benzene. The yield is 85 %.
People can use the following data to convert to the molecule structure.
(1)SMILES: c1cc(ccc1)N2CCCCC2
(2)InChI: InChI=1/C11H15N/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1,3-4,7-8H,2,5-6,9-10H2
(3)InChIKey: LLSKXGRDUPMXLC-UHFFFAOYAV