1H-Pyrrole-2,4-dicarboxylicacid, 5-amino-, 2,4-diethyl ester supplier

Name
diethyl 5-amino -1H-pyrrole-2,4-dicarboxylate
EINECS
CAS No. 187724-98-7
Article Data3
CAS DataBase
Density 1.265 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₄N₂O₄
Boiling Point 440.6 °C at 760 mmHg
Molecular Weight 226.232
Flash Point 220.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-Pyrrole-2,4-dicarboxylicacid, 5-amino-, diethyl ester (9CI);5-Amino-1H-pyrrole-2,4-dicarboxylic aciddiethyl ester;
PSA 94.41000
LogP 1.53150

1H-Pyrrole-2,4-dicarboxylicacid, 5-amino-, 2,4-diethyl ester Specification

The 1H-Pyrrole-2, 4-dicarboxylicacid, 5-amino-, 2, 4-diethyl ester, with the CAS registry number 187724-98-7, is also known as Diethyl 5-Amino-2, 4-pyrroledicarboxylate. This chemical's molecular formula is C₁₀H₁₄N₂O₄ and molecular weight is 226.2292. What's more, its systematic name is Diethyl 5-amino-1H-pyrrole-2, 4-dicarboxylate.

Physical properties about 1H-Pyrrole-2, 4-dicarboxylicacid, 5-amino-, 2, 4-diethyl ester are: (1)ACD/LogP: 2.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.87; (4)ACD/LogD (pH 7.4): 2.87; (5)ACD/BCF (pH 5.5): 90.15; (6)ACD/BCF (pH 7.4): 90.15; (7)ACD/KOC (pH 5.5): 872.89; (8)ACD/KOC (pH 7.4): 872.9; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 94.41 Å²; (13)Index of Refraction: 1.558; (14)Molar Refractivity: 57.73 cm³; (15)Molar Volume: 178.8 cm³; (16)Polarizability: 22.88×10^-24 cm³; (17)Surface Tension: 52.7 dyne/cm; (18)Density: 1.265 g/cm³; (19)Flash Point: 220.3 °C; (20)Enthalpy of Vaporization: 69.78 kJ/mol; (21)Boiling Point: 440.6 °C at 760 mmHg; (22)Vapour Pressure: 5.81E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)c1cc(nc1N)C(=O)OCC
(2) InChI: InChI=1/C10H14N2O4/c1-3-15-9(13)6-5-7(12-8(6)11)10(14)16-4-2/h5,12H,3-4,11H2,1-2H3
(3) InChIKey: YEWDOWIBJZTOCM-UHFFFAOYAY

Product Name

diethyl 5-amino -1H-pyrrole-2,4-dicarboxylate

1H-Pyrrole-2,4-dicarboxylicacid, 5-amino-, 2,4-diethyl ester Specification

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