Cas no 2199-53-3 (1H-Pyrrole-3-carboxylicacid, 4,5-dimethyl-, ethyl ester)
2199-53-3 structure
Product Name:1H-Pyrrole-3-carboxylicacid, 4,5-dimethyl-, ethyl ester
CAS No:2199-53-3
MF:C9H13NO2
MW:167.205022573471
CID:278358
PubChem ID:137483
Update Time:2025-04-19
1H-Pyrrole-3-carboxylicacid, 4,5-dimethyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrole-3-carboxylicacid, 4,5-dimethyl-, ethyl ester
- ethyl 4,5-dimethyl-1H-pyrrole-3-carboxylate
- 2,3-Dimethyl-4-pyrrolcarbonsaeureethylester
- 2,3-Dimethyl-pyrrol-carbonsaeure-(4)-ethylester
- 3-ethoxycarbonyl-4,5-dimethyl-1H-pyrrole
- 4,5-dimethyl-1H-pyrrole-3-carboxylic acid,ethyl ester
- 4,5-Dimethyl-pyrrol-3-carbonsaeure-aethylester
- 4,5-dimethyl-pyrrole-3-carboxylic acid ethyl ester
- AC1L3AOU
- NSC22700
- SureCN6082830
- DTXSID00176416
- DDMLFPBWAAEXFP-UHFFFAOYSA-N
- 1H-Pyrrole-3-carboxylic acid, 4,5-dimethyl-, ethyl ester
- SCHEMBL6082830
- NSC 22700
- 2199-53-3
- 4,5-Dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester
- NSC-22700
-
- Inchi： 1S/C9H13NO2/c1-4-12-9(11)8-5-10-7(3)6(8)2/h5,10H,4H2,1-3H3
- InChI Key： DDMLFPBWAAEXFP-UHFFFAOYSA-N
- SMILES： O(CC)C(C1=CNC(C)=C1C)=O
Computed Properties
- Exact Mass: 166.08686
- Monoisotopic Mass: 167.095
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 170
- 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: 1.7
- Topological Polar Surface Area: 42.1?2
Experimental Properties
- Density: 1.08
- Boiling Point: 312.8°Cat760mmHg
- Flash Point: 143°C
- Refractive Index: 1.516
- PSA: 39.19
1H-Pyrrole-3-carboxylicacid, 4,5-dimethyl-, ethyl ester Related Literature
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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