Product Name

  • Name

    3-(2-ETHOXYCARBONYL-ETHYL)-5-METHYL-1H-PYRROLE-2-CARBOXYLIC ACID ETHYL ESTER

  • EINECS
  • CAS No. 40515-75-1
  • Density 1.129 g/cm3
  • Solubility
  • Melting Point 67-67.5 °C
  • Formula C13H19NO4
  • Boiling Point 386.2 °C at 760 mmHg
  • Molecular Weight 253.298
  • Flash Point 187.3 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 40515-75-1 (3-(2-ETHOXYCARBONYL-ETHYL)-5-METHYL-1H-PYRROLE-2-CARBOXYLIC ACID ETHYL ESTER)
  • Hazard Symbols IrritantXi
  • Synonyms Pyrrole-3-propionicacid, 2-carboxy-5-methyl-, diethyl ester (7CI);Ethyl 2-(ethoxycarbonyl)-5-methylpyrrole-3-propionate;NSC 157284;
  • PSA 68.39000
  • LogP 1.99550

1H-Pyrrole-3-propanoic acid, 2-(ethoxycarbonyl)-5-methyl-, ethyl ester Specification

This chemical is called 1H-Pyrrole-3-propanoic acid, 2-(ethoxycarbonyl)-5-methyl-, ethyl ester, and its CAS registry number is 40515-75-1. With the molecular formula of C13H19NO4, its molecular weight is 253.29.

Other characteristics of the 1H-Pyrrole-3-propanoic acid, 2-(ethoxycarbonyl)-5-methyl-, ethyl ester can be summarised as followings: (1)ACD/LogP: 2.76; (2)# of Rule of 5; (3)Violations: 0; (4)#H bond acceptors: 5; (5)#H bond donors: 1; (6)#Freely Rotating Bonds: 8; (7)Polar Surface Area: 57.53 Å2; (8)Index of Refraction: 1.51; (9)Molar Refractivity: 67.13 cm3; (10)Molar Volume: 224.2 cm3; (11)Dolarizability: 26.61×10-24cm3; (12)Surface Tension: 41.6 dyne/cm; (13)Density: 1.129 g/cm3; (14)Flash Point: 187.3 °C; (15)Enthalpy of Vaporization: 63.51 kJ/mol; (16)Boiling Point: 386.2 °C at 760 mmHg; (17)Vapour Pressure: 3.62E-06 mmHg at 25°C.

Uses of this chemical: The 3-(2-carboxy-5-methyl-pyrrol-3-yl)-propionic acid could be obtained by the reactant of 1H-Pyrrole-3-propanoic acid, 2-(ethoxycarbonyl)-5-methyl-, ethyl ester. This reaction needs the reagent of aq.-ethanolic NaOH.

The 3-(2-carboxy-5-methyl-pyrrol-3-yl)-propionic acid could be obtained by the reactant of 1H-Pyrrole-3-propanoic acid, 2-(ethoxycarbonyl)-5-methyl-, ethyl ester

You can still convert the following datas into molecular structure: 
1.SMILES: O=C(OCC)c1c(cc(n1)C)CCC(=O)OCC
2.InChI: InChI=1/C13H19NO4/c1-4-17-11(15)7-6-10-8-9(3)14-12(10)13(16)18-5-2/h8,14H,4-7H2,1-3H3
3.InChIKey: OTGFBIQHQGYXLE-UHFFFAOYAD

Related Products

Hot Products

Post buying leads

About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia

Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog

©2008 LookChem.com,License: ICP

NO.:Zhejiang16009103

complaints:service@lookchem.com Desktop View