Ethyl 4-cyanopiperidine-1-carboxylate supplier

Name
ETHYL 4-CYANOPIPERIDINE-1-CARBOXYLATE
EINECS
CAS No. 182808-28-2
Article Data3
CAS DataBase
Density 1.11 g/cm³
Solubility
Melting Point
Formula C₉H₁₄N₂O₂
Boiling Point 311.7 °C at 760 mmHg
Molecular Weight 182.222
Flash Point 142.3 °C
Transport Information
Appearance Colourless Oil
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Cyano-N-(ethoxycarbonyl)piperidine;Ethyl 4-cyanopiperidine-1-carboxylate;1-Piperidinecarboxylic acid, 4-cyano-, ethyl ester;ethyl 4-cyanopiperidine-1-carboxylate;
PSA 53.33000
LogP 1.31638

Ethyl 4-cyanopiperidine-1-carboxylate Specification

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

Product Name

ETHYL 4-CYANOPIPERIDINE-1-CARBOXYLATE

Ethyl 4-cyanopiperidine-1-carboxylate Specification

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