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1-Benzylpiperidine

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Name

1-Benzylpiperidine

EINECS 220-809-4
CAS No. 2905-56-8 Density 0.996 g/cm3
PSA 3.24000 LogP 2.61040
Solubility Insoluble in water Melting Point 178-179 °C
Formula C12H17N Boiling Point 246.586 °C at 760 mmHg
Molecular Weight 175.274 Flash Point 94.01 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 2905-56-8 (1-Benzylpiperidine) Hazard Symbols R36/37/38:Irritating to eyes, respiratory system and skin.;
Synonyms

Piperidine,1-benzyl- (6CI,7CI,8CI);1-(Phenylmethyl)piperidine;N-Benzylpiperidine;

Article Data 260

1-Benzylpiperidine Specification

1-Benzylpiperidine is an organic compound with the formula C12H17N, and its systematic name is the same with the product name. With the CAS registry number 2905-56-8, it is also named as 1-(Phenylmethyl)piperidine. Its EINECS number is 220-809-4. In addition, the molecular weight is 175.27. This chemical should be sealed and stored in a cool and dry place.

Physical properties of 1-Benzylpiperidine are: (1)ACD/LogP: 2.931; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.03; (4)ACD/LogD (pH 7.4): 1.32; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 2.42; (7)ACD/KOC (pH 5.5): 1.03; (8)ACD/KOC (pH 7.4): 22.76; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.547; (14)Molar Refractivity: 55.792 cm3; (15)Molar Volume: 175.818 cm3; (16)Polarizability: 22.118×10-24cm3; (17)Surface Tension: 39.53 dyne/cm; (18)Density: 0.997 g/cm3; (19)Flash Point: 94.01 °C; (20)Enthalpy of Vaporization: 48.371 kJ/mol; (21)Boiling Point: 246.586 °C at 760 mmHg; (22)Vapour Pressure: 0.027 mmHg at 25°C.

Preparation of 1-Benzylpiperidine: this chemical can be prepared by piperidine and benzaldehyde at the ambient temperature. This reaction will need reagents Et3NH·HCl, borohydride exchange resin (BER) and solvent ethanol with the reaction time of 1 hour. The yield is about 90%.

1-Benzylpiperidine can be prepared by piperidine and benzaldehyde at the ambient temperature

Uses of 1-Benzylpiperidine: it can be used to produce 1-benzyl-piperidine-1-oxide at the temperature of 20 °C. It will need reagents aq. H2O2, dodecylbenzenesulfonic acid sodium salt and catalyst layered double hydroxide WO4(2-) with the reaction time of 1 hour. The yield is about 97%.

1-Benzylpiperidine can be used to produce 1-benzyl-piperidine-1-oxide at the temperature of 20 °C

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need to wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: c1c(cccc1)CN2CCCCC2
(2)InChI: InChI=1/C12H17N/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1,3-4,7-8H,2,5-6,9-11H2
(3)InChIKey: NZVZVGPYTICZBZ-UHFFFAOYAZ 

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