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Home> Encyclopedia > Hot Product Listed D   > Diethyl 3-isopropyl-1H-pyrrole-2,4-dicarboxylate
651744-38-6 structure

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

Iupac Name:diethyl 3-propan-2-yl-1H-pyrrole-2,4-dicarboxylate
CAS No.:651744-38-6
Molecular Weight:253.298
Molecular Formula:C13H19NO4 (isomer)
Names and Identifiers
Synonyms

2,4-diethyl 3-isopropyl-1h-pyrrole-2,4-dicarboxylate 3-(1-methylethyl)pyrrole-2,4-dicarboxylic acid diethyl ester 3-isopropyl-1h-pyrrole 2,4-dicarboxylic acid diethyl ester AK327727 AKOS015901445 CD-104 CTK5C2310 diethyl 3-(propan-2-yl)-1h-pyrrole-2,4-dicarboxylate diethyl 3-isopropylpyrrole-2,4-dicarboxylate diethyl3-isopropyl-1h-pyrrole-2,4-dicarboxylate diethyl-3-isopropyl-pyrrole-2,4-dicarboxylate DKOOELBWISYCSN-UHFFFAOYSA-N DTXSID60672242 HE374903 I14-15260 KB-201024 MOLPORT-006-390-267 PB29585 Q-1687 SC-31232 SCHEMBL1683438 ZINC31777039

Inchi
InChI=1S/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
InChkey
DKOOELBWISYCSN-UHFFFAOYSA-N
Canonical Smiles
CCOC(=O)C1=CNC(=C1C(C)C)C(=O)OCC
Properties
Density
1.118
Boiling Point
397.144 °C at 760 mmHg
Flash Point
193.986 °C
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Precursor and Product
Computational chemical data
  • Molecular Weight:253.298g/mol
  • Molecular Formula:C13H19NO4
  • Compound Is Canonicalized:True
  • Exact Mass:253.131
  • Monoisotopic Mass:253.131
  • Complexity:303
  • Rotatable Bond Count:7
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:68.4A^2
  • Heavy Atom Count:18
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceByOAAAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAABgAAAHgAQAAAADQjhngYuiJLJlACo AxT3TASCgCA3ACAA2aGoTNgKJnrAtLmHEYhmwAHY6ca8NwgOgAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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Recommended Suppliers
  • Tel:215 589 6350
  • Fax:215 489 4920
  • Tel:317 295 1925
  • Fax:317 295 1926
  • Tel:732 342 6911
  • Fax:732 342 6977
  • Tel:732 821 6500
  • Fax:732 821 6008
  • Tel:1-631-5046093
  • Fax:1-631-6147828
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