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| CAS No.: | 626-58-4 |
|---|---|
| Name: | 4-Methylpiperidine |
| Article Data: | 34 |
| Molecular Structure: | |
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|
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| Formula: | C6H13N |
| Molecular Weight: | 99.1759 |
| Synonyms: | 4-Pipecoline(7CI,8CI);NSC 126910;NSC 66495;g-Pipecoline;Piperidine,4-methyl-; |
| EINECS: | 210-954-1 |
| Density: | 0.81 g/cm3 |
| Melting Point: | 4-5 °C |
| Boiling Point: | 129.6 °C at 760 mmHg |
| Flash Point: | 7.2 °C |
| Solubility: | Miscible with water |
| Appearance: | clear slightly yellow liquid |
| Hazard Symbols: |
 F, Xi
|
| Risk Codes: | 11-36/37/38 |
| Safety: | 16-26-36 |
| Transport Information: | UN 1993 3/PG 2 |
| PSA: | 12.03000 |
| LogP: | 1.33470 |
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Specification
4-Methylpiperidine is an organic compound with the formula C6H13N, and its systematic name is the same with the product name. With the CAS registry number 626-58-4, it is also named as Piperidine,4-methyl-. It belongs to the product category of Piperidine. Its EINECS number is 210-954-1. In addition, the molecular weight is 99.17. It should be sealed and stored in a cool and dry place. Moreover, it should be protected from oxides. This chemical can be used in organic synthesis as an organic intermediate.
Physical properties of 4-Methylpiperidine are: (1)ACD/LogP: 1.148; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.95; (4)ACD/LogD (pH 7.4): -1.74; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.03 Å2; (13)Index of Refraction: 1.422; (14)Molar Refractivity: 31.115 cm3; (15)Molar Volume: 122.479 cm3; (16)Polarizability: 12.335×10-24cm3; (17)Surface Tension: 24.45 dyne/cm; (18)Density: 0.81 g/cm3; (19)Flash Point: 7.222 °C; (20)Enthalpy of Vaporization: 36.724 kJ/mol; (21)Boiling Point: 129.562 °C at 760 mmHg; (22)Vapour Pressure: 10.11 mmHg at 25°C.
Preparation: this chemical can be prepared by 4-methyl-pyridine at the ambient temperature. This reaction will need reagent SmI2 and solvents tetrahydrofuran, H2O with the reaction time of 14 min. The yield is about 92%.
Uses of 4-Methylpiperidine: it can be used to produce 2-(4-methyl-piperidin-1-yl)-5-nitro-benzoic acid by heating. It will need reagents K2CO3 and solvent ethanol with the reaction time of 60 hours. The yield is about 87%.
When you are using this chemical, please be cautious about it as the following:
This chemical is highly flammable, so you should keep it away from sources of ignition - No smoking. It 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 wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)SMILES: N1CCC(C)CC1
(2)Std. InChI: InChI=1S/C6H13N/c1-6-2-4-7-5-3-6/h6-7H,2-5H2,1H3
(3)Std. InChIKey: UZOFELREXGAFOI-UHFFFAOYSA-N