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110-89-4

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Basic Information
CAS No.: 110-89-4
Name: Piperidine
Molecular Structure:
Molecular Structure of 110-89-4 (Piperidine)
Formula: C5H11N
Molecular Weight: 85.15
Synonyms: Azacyclohexane;Cyclopentimine;Cypentil;Hexahydropyridine;Hexazane;Pentamethylenimine;Perhydropyridine;Pyridine, hexahydro-;
EINECS: 203-813-0
Density: 0.861 g/cm3
Melting Point: -11 °C
Boiling Point: 106.399 °C at 760 mmHg
Flash Point: 4.444 °C
Solubility: miscible with water
Appearance: Clear or slightly yellow liquid
Hazard Symbols: ToxicT,FlammableF
Risk Codes: 61-20/21-34-23/24-11
Safety: 53-16-26-36/37/39-45-27
Transport Information: UN 3286 3/PG 2
PSA: 12.03000
LogP: 1.08870
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Consensus Reports

EPA Extremely Hazardous Substances List. Reported in EPA TSCA Inventory. EPA Genetic Toxicology Program.

Standards and Recommendations

DOT Classification:  3; Label: Flammable Liquid

Specification

This product is an organic compound with the formula C5H11N. The IUPAC name of this chemical is Piperidine. It belongs to the product categories of Piperidine; Other Reagents; Chemistry; Solvents and Mixtures for Peptide Synthesis; Peptide Synthesis; Specialty Synthesis; Bases Chemical Synthesis; Organic Bases; Supported Reagents; Supported Synthesis; Synthetic Reagents. Its EINECS number is 203-813-0. With the CAS registry number 110-89-4, it is also named as Cyclopentimine. In addition, the molecular weight is 85.15. Its classification codes are: (1)Calcium Channel Blockers; (2)Cardiovascular Agents; (3)Membrane Transport Modulators; (4)Mutation data; (5)Reproductive Effect; (6)Skin / Eye Irritant. It should be sealed and stored in a cool and dry place. Moreover, it should be protected from oxides, heat, fire and light. It is commonly used as the intermediates for the synthesis of pharmaceuticals, raw materials of rubber accelerator and the curing agent of epoxy resins.

Physical properties of Piperidine are: (1)ACD/LogP: 0.61; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 1; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 0; (10)Polar Surface Area: 12.03 Å2; (11)Index of Refraction: 1.429; (12)Molar Refractivity: 26.407 cm3; (13)Molar Volume: 102.488 cm3; (14)Polarizability: 10.468×10-24cm3; (15)Surface Tension: 26.728 dyne/cm; (16)Density: 0.831 g/cm3; (17)Flash Point: 4.444 °C; (18)Enthalpy of Vaporization: 34.531 kJ/mol; (19)Boiling Point: 106.399 °C at 760 mmHg; (20)Vapour Pressure: 28.325 mmHg at 25°C.

Preparation of Piperidine: this chemical can be produced by the hydrogenation of pyridine, usually over a molybdenum disulfide catalyst.

C5H5N + 3 H2 → C5H10NH

Uses of Piperidine: it can be used to produce 1-(6-amino-pyridin-2-ylamino)-3-piperidin-1-yl-propan-2-ol by heating. It will need solvent methanol with the reaction time of 24 hours. The yield is about 35%.

Piperidine can be used to produce 1-(6-amino-pyridin-2-ylamino)-3-piperidin-1-yl-propan-2-ol by heating

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation and in contact with skin. It is highly flammable, so you should keep it away from sources of ignition - No smoking. It is toxic by inhalation and in contact with skin and can cause burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. You must take off immediately all contaminated clothing. When using it, you need wear suitable protective clothing and should avoid contact with eyes. In case of accident or if you feel unwell, you need seek medical advice immediately (show the label where possible). It should be avoided exposure that you should obtain special instructions before use.

You can still convert the following datas into molecular structure:
(1)SMILES: C1CCNCC1
(2)Std. InChI: InChI=1S/C5H11N/c1-2-4-6-5-3-1/h6H,1-5H2
(3)Std. InChIKey: NQRYJNQNLNOLGT-UHFFFAOYSA-N

The toxicity data is as follows:  

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
frog LDLo unreported 1750mg/kg (1750mg/kg) PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
"Structure et Activite Pharmacodyanmique des Medicaments du Systeme Nerveux Vegetatif," Bovet, D., and F. Bovet-Nitti, New York, S. Karger, 1948Vol. -, Pg. 595, 1948.
mammal (species unspecified) LC50 inhalation 6500mg/m3 (6500mg/m3)   Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. Vol. 14, Pg. 90, 1975.
mammal (species unspecified) LD50 oral 22400ug/kg (22.4mg/kg)   Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. Vol. 14, Pg. 90, 1975.
mouse LC50 inhalation 6000mg/m3/2H (6000mg/m3)   Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. Vol. 15, Pg. 116, 1979.
mouse LD50 intraperitoneal 50mg/kg (50mg/kg)   Journal of Environmental Pathology and Toxicology. Vol. 4(2-3), Pg. 345, 1980.
mouse LD50 oral 30mg/kg (30mg/kg)   Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. Vol. 15, Pg. 116, 1979.
rabbit LD50 oral 145mg/kg (145mg/kg)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 100, 1982.
rabbit LD50 skin 276mg/kg (276mg/kg)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
rabbit LDLo intravenous 160mg/kg (160mg/kg) PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Japanese Journal of Medical Sciences, Part 4: Pharmacology. Vol. 7, Pg. 128, 1933.
rabbit LDLo subcutaneous 300mg/kg (300mg/kg) PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Japanese Journal of Medical Sciences, Part 4: Pharmacology. Vol. 7, Pg. 128, 1933.
rat LCLo inhalation 4000ppm/4H (4000ppm)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
rat LD50 oral 400mg/kg (400mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 18(2), Pg. 29, 1974.