Ethyl 1-benzyl-1,2,3,6-tetrahydropyridine-4-carboxylate supplier

Name
Ethyl 1-benzyl-1,2,3,6-tetrahydropyridine-4-carboxylate
EINECS
CAS No. 23019-62-7
Article Data3
CAS DataBase
Density 1.108 g/cm³
Solubility
Melting Point
Formula C₁₅H₁₉NO₂
Boiling Point 344 °C at 760 mmHg
Molecular Weight 245.321
Flash Point 121.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Isonicotinicacid, 1-benzyl-1,2,3,6-tetrahydro-, ethyl ester (8CI);Ethyl 1-benzyl-1,2,3,6-tetrahydropyridine-4-carboxylate;
PSA 29.54000
LogP 2.31970

Ethyl 1-benzyl-1,2,3,6-tetrahydropyridine-4-carboxylate Specification

The Ethyl 1-benzyl-1,2,3,6-tetrahydropyridine-4-carboxylate with the cas number 23019-62-7 is also called 4-Pyridinecarboxylicacid, 1,2,3,6-tetrahydro-1-(phenylmethyl)-, ethyl ester. Its molecular formula is C₁₅H₁₉NO₂. The product category is API intermediates.

The properties of the chemical are: (1)ACD/LogP: 3.23; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 29.54 Å²; (7)Index of Refraction: 1.554; (8)Molar Refractivity: 70.97 cm³; (9)Molar Volume: 221.2 cm³; (10)Polarizability: 28.13×10^-24cm³; (11)Surface Tension: 44.2 dyne/cm; (12)Enthalpy of Vaporization: 58.79 kJ/mol; (13)Vapour Pressure: 6.78×10^-5mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)/C2=C/CN(Cc1ccccc1)CC2
(2)InChI: InChI=1/C15H19NO2/c1-2-18-15(17)14-8-10-16(11-9-14)12-13-6-4-3-5-7-13/h3-8H,2,9-12H2,1H3
(3)InChIKey: HPBHOJNKSYJCRT-UHFFFAOYAQ

Product Name

Ethyl 1-benzyl-1,2,3,6-tetrahydropyridine-4-carboxylate

Ethyl 1-benzyl-1,2,3,6-tetrahydropyridine-4-carboxylate Specification

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