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| CAS No.: | 88536-17-8 |
|---|---|
| Name: | 3-ETHOXYPIPERIDINE |
| Molecular Structure: | |
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| Formula: | C7H15NO |
| Molecular Weight: | 129.2001 |
| Synonyms: | 3-Ethoxypiperidine; |
| Density: | 0.92 g/cm3 |
| Boiling Point: | 172.9 °C at 760 mmHg |
| Flash Point: | 62.2 °C |
| PSA: | 21.26000 |
| LogP: | 1.10370 |
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Specification
The Piperidine, 3-ethoxy-, with the CAS registry number 88536-17-8, is also known as 3-Ethoxy-Piperidine. This chemical's molecular formula is C7H15NO and molecular weight is 129.2001. What's more, its systematic name is 3-Ethoxypiperidine. In addition, it must be stored in airtight containers and placed in a dry, cool place. Meanwhile, it should avoid contact with oxidant.
Physical properties about Piperidine, 3-ethoxy- are: (1)ACD/LogP: 0.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.56; (4)ACD/LogD (pH 7.4): -2.09; (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: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.45; (14)Molar Refractivity: 37.77 cm3; (15)Molar Volume: 140.3 cm3; (16)Polarizability: 14.97×10-24 cm3; (17)Surface Tension: 29.5 dyne/cm; (18)Density: 0.92 g/cm3; (19)Flash Point: 62.2 °C; (20)Enthalpy of Vaporization: 40.92 kJ/mol; (21)Boiling Point: 172.9 °C at 760 mmHg; (22)Vapour Pressure: 1.3 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O(CC)C1CCCNC1
(2) InChI: InChI=1/C7H15NO/c1-2-9-7-4-3-5-8-6-7/h7-8H,2-6H2,1H3
(3) InChIKey: RYNGVDXHFTWXDH-UHFFFAOYAA