CAS No.5004-07-9,4-(1-Pyrrolidinyl)piperidine Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	5004-07-9
Name:	4-(1-Pyrrolidinyl)piperidine
Article Data:	5

Formula:	C₉H₁₈N₂
Molecular Weight:	154.255
Synonyms:	4-(Pyrrolidinyl)piperidine;4-Pyrrolidinopiperidine;4-(Pyrrolidin-1-yl)piperidine;
EINECS:	225-676-6
Density:	0.989 g/cm³
Melting Point:	53-56 °C(lit.)
Boiling Point:	228.8 °C at 760 mmHg
Flash Point:	92 °C
Appearance:	white crystals
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36-37/39
PSA:	15.27000
LogP:	1.10090

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Specification

The Piperidine,4-(1-pyrrolidinyl)-, with the CAS registry number 5004-07-9, is also known as 4-Pyrrolidinopiperidine. It belongs to the product categories of Amines and Anilines; Piperidine; Piperidine Series; Building Blocks; Heterocyclic Building Blocks; Piperidines. Its EINECS number is 225-676-6. This chemical's molecular formula is C₉H₁₈N₂ and molecular weight is 154.25. What's more, its systematic name is 4-(pyrrolidin-1-yl)piperidine. 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.

Physical properties of Piperidine,4-(1-pyrrolidinyl)- are: (1)ACD/LogP: 0.39; (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: 2; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 15.27 Å²; (11)Index of Refraction: 1.508; (12)Molar Refractivity: 46.464 cm³; (13)Molar Volume: 155.916 cm³; (14)Polarizability: 18.42×10^-24cm³; (15)Surface Tension: 36.783 dyne/cm; (16)Density: 0.989 g/cm³; (17)Flash Point: 91.956 °C; (18)Enthalpy of Vaporization: 46.537 kJ/mol; (19)Boiling Point: 228.773 °C at 760 mmHg; (20)Vapour Pressure: 0.072 mmHg at 25°C.

Uses of Piperidine,4-(1-pyrrolidinyl)-: it can be used to produce 4-(4-pyrrolidin-1-yl-piperidin-1-yl)-benzonitrile by heating. It will need reagents t-BuOLi, n-BuLi, 1,1'-bis(diphenylphosphanyl)ferrocene and solvents toluene, hexane with the reaction time of 3.5 hours. This reaction will also need catalyst Ni/C. The yield is about 92%.

Piperidine,4-(1-pyrrolidinyl)- can be used to produce 4-(4-pyrrolidin-1-yl-piperidin-1-yl)-benzonitrile by heating

When you are using this chemical, please be cautious about it as the following:
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, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: C1CCN(C1)C2CCNCC2
(2)Std. InChI: InChI=1S/C9H18N2/c1-2-8-11(7-1)9-3-5-10-6-4-9/h9-10H,1-8H2
(3)Std. InChIKey: STWODXDTKGTVCJ-UHFFFAOYSA-N