Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1H-Pyrrole-2,4-dicarboxylicacid, 5-amino-, 2,4-diethyl ester |
EINECS | N/A |
CAS No. | 187724-98-7 | Density | 1.265 g/cm3 |
PSA | 94.41000 | LogP | 1.53150 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H14N2O4 | Boiling Point | 440.6 °C at 760 mmHg |
Molecular Weight | 226.232 | Flash Point | 220.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1H-Pyrrole-2,4-dicarboxylicacid, 5-amino-, diethyl ester (9CI);5-Amino-1H-pyrrole-2,4-dicarboxylic aciddiethyl ester; |
Article Data | 3 |
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