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Name |
4'-N-Piperidinophenyl acetylene |
EINECS | N/A |
CAS No. | 41876-66-8 | Density | 1.04 g/cm3 |
PSA | 3.24000 | LogP | 2.72320 |
Solubility | N/A | Melting Point |
73-74℃ |
Formula | C13H15N | Boiling Point | 307.8 °C at 760 mmHg |
Molecular Weight | 185.269 | Flash Point | 127.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36/37/39 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1-(4-ethynylphenyl)piperidine; |
Article Data | 3 |
The 4'-N-Piperidinophenyl acetylene, with the CAS registry number 41876-66-8, is also known as Piperidine, 1-(4-ethynylphenyl)-. This chemical's molecular formula is C13H15N and molecular weight is 185.26. Its systematic name is called 1-(4-ethynylphenyl)piperidine.
Physical properties of 4'-N-Piperidinophenyl acetylene: (1)ACD/LogP: 3.16; (2)ACD/LogD (pH 5.5): 3.15; (3)ACD/LogD (pH 7.4): 3.16; (4)#H bond acceptors: 1; (5)#Freely Rotating Bonds: 1; (6)Index of Refraction: 1.577; (7)Molar Refractivity: 58.8 cm3; (8)Molar Volume: 177.3 cm3; (9)Surface Tension: 44.6 dyne/cm; (10)Density: 1.04 g/cm3; (11)Flash Point: 127.6 °C; (12)Enthalpy of Vaporization: 54.84 kJ/mol; (13)Boiling Point: 307.8 °C at 760 mmHg; (14)Vapour Pressure: 0.000708 mmHg at 25°C.
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. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: C#Cc1ccc(cc1)N2CCCCC2
(2)InChI: InChI=1/C13H15N/c1-2-12-6-8-13(9-7-12)14-10-4-3-5-11-14/h1,6-9H,3-5,10-11H2
(3)InChIKey: HSVTWKBBVMEXGW-UHFFFAOYAQ