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Basic Information
CAS No.: 738577-08-7
Name: 4-Ethynylpiperidine
Article Data: 5
Molecular Structure:
Molecular Structure of 738577-08-7 (4-Ethynylpiperidine)
Formula: C7H11N
Molecular Weight: 109.171
Synonyms: 4-Ethynylpiperidine;
Density: 0.91 g/cm3
Boiling Point: 143.8 °C at 760 mmHg
Flash Point: 32.9 °C
PSA: 12.03000
LogP: 0.94800
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Specification

The Piperidine, 4-ethynyl-, with the CAS registry number 738577-08-7. This chemical's molecular formula is C7H11N and molecular weight is 109.17. What's more, its systematic name is 4-Ethynylpiperidine.

Physical properties of Piperidine, 4-ethynyl- are: (1)ACD/LogP: 0.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.16; (4)ACD/LogD (pH 7.4): -1.77; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.481; (14)Molar Refractivity: 33.84 cm3; (15)Molar Volume: 118.7 cm3; (16)Polarizability: 13.41×10-24 cm3; (17)Surface Tension: 33.8 dyne/cm; (18)Density: 0.91 g/cm3; (19)Flash Point: 32.9 °C; (20)Enthalpy of Vaporization: 38.09 kJ/mol; (21)Boiling Point: 143.8 °C at 760 mmHg; (22)Vapour Pressure: 5.25 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: C#CC1CCNCC1
(2)InChI: InChI=1/C7H11N/c1-2-7-3-5-8-6-4-7/h1,7-8H,3-6H2
(3)InChIKey: FWOORBMXLUBSEV-UHFFFAOYAA