Cas no 2199-54-4 (1H-Pyrrole-3-carboxylicacid, 2,4,5-trimethyl-, ethyl ester)
2199-54-4 structure
Product Name:1H-Pyrrole-3-carboxylicacid, 2,4,5-trimethyl-, ethyl ester
CAS No:2199-54-4
MF:C10H15NO2
MW:181.231602907181
CID:283855
PubChem ID:137484
Update Time:2025-04-19
1H-Pyrrole-3-carboxylicacid, 2,4,5-trimethyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrole-3-carboxylicacid, 2,4,5-trimethyl-, ethyl ester
- Pyrrole-3-carboxylic acid, 2,4,5-trimethyl-, ethyl ester
- ethyl 2,4,5-trimethyl-1H-pyrrole-3-carboxylate
- Ethyl 2,4,5-trimethylpyrrole-3-carboxylate
- DTXSID40944590
- AKOS006274132
- 1H-Pyrrole-3-carboxylic acid, 2,4,5-trimethyl, ethyl ester
- SR-01000389517
- 2,4,5-Trimethyl-1H-pyrrole-3-carboxylic acid ethyl ester
- 2,4,5-Trimethyl-3-carbethoxy-pyrrole
- 2199-54-4
- 1H-Pyrrole-3-carboxylic acid, 2,4,5-trimethyl-, ethyl ester
- 2,4,5-trimethyl-3-carbethoxy pyrrole
- Ethyl 2,4,5-trimethyl-1H-pyrrole-3-carboxylate #
- 55770-78-0
- SR-01000389517-1
- SCHEMBL11652842
- CCG-103192
-
- Inchi： 1S/C10H15NO2/c1-5-13-10(12)9-6(2)7(3)11-8(9)4/h11H,5H2,1-4H3
- InChI Key： WAPMICOPEJCJAD-UHFFFAOYSA-N
- SMILES： O(CC)C(C1=C(C)NC(C)=C1C)=O
Computed Properties
- Exact Mass: 181.11035
- Monoisotopic Mass: 181.11
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 193
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.1
- Topological Polar Surface Area: 42.1?2
Experimental Properties
- Density: 1.059±0.06 g/cm3 (20 oC 760 Torr),
- Melting Point: 104-105 oC (methanol )
- Boiling Point: 313.9°Cat760mmHg
- Flash Point: 143.7°C
- Solubility: Very slightly soluble (0.82 g/l) (25 o C),
- PSA: 42.09
1H-Pyrrole-3-carboxylicacid, 2,4,5-trimethyl-, ethyl ester Related Literature
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2. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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