Diethyl 3-isopropyl-1H-pyrrole-2,4-dicarboxylate supplier

Name
Diethyl 3-isopropyl-1H-pyrrole-2,4-dicarboxylate
EINECS
CAS No. 651744-38-6
Article Data3
CAS DataBase
Density 1.118 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₉NO₄
Boiling Point 397.144 °C at 760 mmHg
Molecular Weight 253.29426
Flash Point 193.986 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms DIETHYL 3-ISOPROPYL-1H-PYRROLE-2,4-DICARBOXYLATE
PSA 68.39000
LogP 2.49150

Diethyl 3-isopropyl-1H-pyrrole-2,4-dicarboxylate Specification

The CAS registry number of Diethyl 3-isopropyl-1H-pyrrole-2,4-dicarboxylate is 651744-38-6. Its molecular formula is C₁₃H₁₉NO₄ and molecular weight is 253.29. Its systematic name is called diethyl 3-isopropyl-1H-pyrrole-2,4-dicarboxylate.

Physical properties about Diethyl 3-isopropyl-1H-pyrrole-2,4-dicarboxylate are: (1)ACD/LogP: 3.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.688; (4)ACD/LogD (pH 7.4): 3.688; (5)ACD/BCF (pH 5.5): 373.822; (6)ACD/BCF (pH 7.4): 373.822; (7)ACD/KOC (pH 5.5): 2416.117; (8)ACD/KOC (pH 7.4): 2416.115; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Index of Refraction: 1.509; (13)Molar Refractivity: 67.683 cm³; (14)Molar Volume: 226.627 cm³; (15)Surface Tension: 40.352 dyne/cm; (16)Density: 1.118 g/cm³; (17)Flash Point: 193.986 °C; (18)Enthalpy of Vaporization: 64.754 kJ/mol; (19)Boiling Point: 397.144 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(=O)c1c[nH]c(c1C(C)C)C(=O)OCC
(2)InChI: InChI=1/C13H19NO4/c1-5-17-12(15)9-7-14-11(10(9)8(3)4)13(16)18-6-2/h7-8,14H,5-6H2,1-4H3
(3)InChIKey: DKOOELBWISYCSN-UHFFFAOYAB

Product Name

Diethyl 3-isopropyl-1H-pyrrole-2,4-dicarboxylate

Diethyl 3-isopropyl-1H-pyrrole-2,4-dicarboxylate Specification

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