Piperidine hydrochloride

Reported in EPA TSCA Inventory.

The Piperidine hydrochloride, with the CAS registry number 6091-44-7, is also known as Piperidine, hydrochloride (1:1). It belongs to the product categories of Piperidine; Building Blocks; Heterocyclic Building Blocks; Piperidines. Its EINECS number is 228-033-8. This chemical's molecular formula is C₅H₁₁N^.HCl and molecular weight is 121.63. What's more, its systematic name is Piperidinium chloride. Its classification code is Drug / Therapeutic Agent. It is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. Moreover, it should be protected from light. This chemical is used in organic synthesis.

Physical properties of Piperidine hydrochloride are: (1)ACD/LogP: 0.932; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.17; (4)ACD/LogD (pH 7.4): -2.10; (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)Flash Point: 4.4 °C; (13)Enthalpy of Vaporization: 34.53 kJ/mol; (14)Boiling Point: 106.4 °C at 760 mmHg; (15)Vapour Pressure: 28.3 mmHg at 25°C.

Preparation: this chemical can be prepared by N-(2-chloropropionyl)piperidine at the temperature of 50 °C. This reaction will need reagent methanol with the reaction time of 30 min. The yield is about 99%.

Uses of Piperidine hydrochloride: it can be used to produce 2,8-Dimethyl-6-(1-piperidyl)-9H-purin at the temperature of 200 °C. It will need reagents P₂O₅, NEt₃·HCl with the reaction time of 3 hours. The yield is about 76%.

When you are using this chemical, please be cautious about it as the following:
This chemical is toxic by inhalation, in contact with skin and if swallowed. 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 to wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, you must seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: [Cl-].[NH2+]1CCCCC1
(2)Std. InChI: InChI=1S/C5H11N.ClH/c1-2-4-6-5-3-1;/h6H,1-5H2;1H
(3)Std. InChIKey: VEIWYFRREFUNRC-UHFFFAOYSA-N

The toxicity data is as follows: