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CAS No.: | 182808-28-2 |
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Name: | ETHYL 4-CYANOPIPERIDINE-1-CARBOXYLATE |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C9H14N2O2 |
Molecular Weight: | 182.222 |
Synonyms: | 4-Cyano-N-(ethoxycarbonyl)piperidine;Ethyl 4-cyanopiperidine-1-carboxylate;1-Piperidinecarboxylic acid, 4-cyano-, ethyl ester;ethyl 4-cyanopiperidine-1-carboxylate; |
Density: | 1.11 g/cm3 |
Boiling Point: | 311.7 °C at 760 mmHg |
Flash Point: | 142.3 °C |
Appearance: | Colourless Oil |
PSA: | 53.33000 |
LogP: | 1.31638 |
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The Ethyl 4-cyanopiperidine-1-carboxylate, with the CAS registry number 182808-28-2, is also called 1-Piperidinecarboxylic acid, 4-cyano-, ethyl ester. It is a kind of colourless oil, and belongs to the following product categories: Carboxylicester and Heterocycles. And the molecular formula of the chemical is C9H14N2O2.
The physical properties of Ethyl 4-cyanopiperidine-1-carboxylate are as followings: (1)ACD/LogP: 0.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.18; (4)ACD/LogD (pH 7.4): 0.18; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 30.03; (8)ACD/KOC (pH 7.4): 30.03; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 53.33 Å2; (13)Index of Refraction: 1.491; (14)Molar Refractivity: 47.33 cm3; (15)Molar Volume: 163.2 cm3; (16)Polarizability: 18.76×10-24cm3; (17)Surface Tension: 43.8 dyne/cm; (18)Density: 1.11 g/cm3; (19)Flash Point: 142.3 °C; (20)Enthalpy of Vaporization: 55.26 kJ/mol; (21)Boiling Point: 311.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000555 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)N1CCC(C#N)CC1
(2)InChI: InChI=1/C9H14N2O2/c1-2-13-9(12)11-5-3-8(7-10)4-6-11/h8H,2-6H2,1H3
(3)InChIKey: HAPWNLVBWKCSLT-UHFFFAOYAL