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CAS No.: | 3518-83-0 |
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Name: | N-Ethyl-4-hydroxypiperidine |
Article Data: | 15 |
Molecular Structure: | |
Formula: | C7H15NO |
Molecular Weight: | 129.202 |
Synonyms: | 1-Ethyl-4-hydroxypiperidine;1-Ethyl-4-piperidinol;4-Piperidinol, 1-ethyl-; |
EINECS: | 222-528-2 |
Density: | 0.978 g/cm3 |
Boiling Point: | 209.3 °C at 760 mmHg |
Flash Point: | 95.6 °C |
PSA: | 23.47000 |
LogP: | 0.40090 |
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The N-Ethyl-4-hydroxypiperidine, with the CAS registry number 3518-83-0, is also known as 1-Ethyl-4-hydroxypiperidine. Its EINECS number is 222-528-2. This chemical's molecular formula is C7H15NO and molecular weight is 129.2. What's more, its systematic name is 1-ethylpiperidin-4-ol.
Physical properties of N-Ethyl-4-hydroxypiperidine are: (1)ACD/LogP: 0.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.01; (4)ACD/LogD (pH 7.4): -1.86; (5)ACD/BCF (pH 5.5): 1; (6)ACD/KOC (pH 5.5): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 12.47 Å2; (11)Index of Refraction: 1.48; (12)Molar Refractivity: 37.54 cm3; (13)Molar Volume: 132 cm3; (14)Surface Tension: 35.3 dyne/cm; (15)Density: 0.978 g/cm3; (16)Flash Point: 95.6 °C; (17)Enthalpy of Vaporization: 51.83 kJ/mol; (18)Boiling Point: 209.3 °C at 760 mmHg; (19)Vapour Pressure: 0.0468 mmHg at 25°C.
Uses of N-Ethyl-4-hydroxypiperidine: it can be used to produce benzoic acid-(1-ethyl-[4]piperidyl ester) at the temperature of 0 - 20 °C. It will need reagent pTsCl, pyridine. It's a reaction of esterification. The yield is about 53%.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCN1CCC(CC1)O
(2)InChI: InChI=1S/C7H15NO/c1-2-8-5-3-7(9)4-6-8/h7,9H,2-6H2,1H3
(3)InChIKey: AHOJTPZHHMJMCW-UHFFFAOYSA-N