Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Ethyl 1-benzyl-1,2,3,6-tetrahydropyridine-4-carboxylate |
EINECS | N/A |
CAS No. | 23019-62-7 | Density | 1.108 g/cm3 |
PSA | 29.54000 | LogP | 2.31970 |
Solubility | N/A | Melting Point |
N/A |
Formula | C15H19NO2 | Boiling Point | 344 °C at 760 mmHg |
Molecular Weight | 245.321 | Flash Point | 121.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Isonicotinicacid, 1-benzyl-1,2,3,6-tetrahydro-, ethyl ester (8CI);Ethyl 1-benzyl-1,2,3,6-tetrahydropyridine-4-carboxylate; |
Article Data | 3 |
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: 6.78×10-5 mmHg 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