5-Pyrimidinecarboxylicacid, 4-ethoxy-2-phenyl-, ethyl ester supplier

Name
ETHYL 4-ETHOXY-2-PHENYL-5-PYRIMIDINECARBOXYLATE
EINECS
CAS No. 122773-99-3
Article Data1
CAS DataBase
Density 1.153 g/cm³
Solubility
Melting Point 54-56
Formula C₁₅H₁₆N₂O₃
Boiling Point 345.3 °C at 760 mmHg
Molecular Weight 272.304
Flash Point 162.6 °C
Transport Information
Appearance
Safety
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols Xi
Synonyms ethyl 4-ethoxy-2-phenyl-5-pyrimidinecarboxylate;
PSA 61.31000
LogP 2.71900

5-Pyrimidinecarboxylicacid, 4-ethoxy-2-phenyl-, ethyl ester Specification

The 5-Pyrimidinecarboxylicacid, 4-ethoxy-2-phenyl-, ethyl ester, with the CAS registry number 123319-30-2, is also known as ethyl 4-ethoxy-2-phenyl-5-pyrimidinecarboxylate. This chemical's molecular formula is C₁₅H₁₆N₂O₃ and molecular weight is 272.30. What's more, its systematic name is ethyl ethyl 4-ethoxy-2-phenylpyrimidine-5-carboxylate.

Physical properties of 5-Pyrimidinecarboxylicacid, 4-ethoxy-2-phenyl-, ethyl ester are: (1)ACD/LogP: 3.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.2; (4)ACD/LogD (pH 7.4): 3.2; (5)ACD/BCF (pH 5.5): 159.58; (6)ACD/BCF (pH 7.4): 159.58; (7)ACD/KOC (pH 5.5): 1313.68; (8)ACD/KOC (pH 7.4): 1313.71; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 61.31 Å²; (13)Index of Refraction: 1.545; (14)Molar Refractivity: 74.74 cm³; (15)Molar Volume: 236 cm³; (16)Polarizability: 29.63×10^-24 cm³; (17)Surface Tension: 44.5 dyne/cm; (18)Density: 1.153 g/cm³; (19)Flash Point: 162.6 °C; (20)Enthalpy of Vaporization: 58.94 kJ/mol; (21)Boiling Point: 345.3 °C at 760 mmHg; (22)Vapour Pressure: 6.21×10^-5 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(=O)c1cnc(nc1OCC)c2ccccc2
(2)InChI: InChI=1/C15H16N2O3/c1-3-19-14-12(15(18)20-4-2)10-16-13(17-14)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3
(3)InChIKey: QIJXPLJLCFRKSO-UHFFFAOYAT

Product Name

ETHYL 4-ETHOXY-2-PHENYL-5-PYRIMIDINECARBOXYLATE

5-Pyrimidinecarboxylicacid, 4-ethoxy-2-phenyl-, ethyl ester Specification

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