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Home> Encyclopedia > Hot Product Listed   > tert-butyl 3-(2-(methylsulfonyl)acetyl)piperidine-1-carboxylate
1232432-67-5 structure

tert-butyl 3-(2-(methylsulfonyl)acetyl)piperidine-1-carboxylate

Iupac Name:tert-butyl 3-(2-methylsulfonylacetyl)piperidine-1-carboxylate
CAS No.:1232432-67-5
Molecular Weight:305.389
Molecular Formula:C13H23NO5S (isomer)
Names and Identifiers
Synonyms

3-[2-(methylsulfonyl)acetyl]-piperidine-1-carboxylic acid tert-butyl ester AK-26601 AKOS016344628 AX8039947 BB 0262949 BG00332525 DB-023280 DTXSID70704629 mfcd11111567 PUBCHEM22887 qwplmqdsszgeih-uhfffaoysa-n tert-butyl 3-(2-(methylsulfonyl)acetyl)piperidine-1-carboxylate tert-butyl 3-(2-methanesulfonylacetyl)piperidine-1-carboxylate tert-butyl 3-[(methanesulfonyl)acetyl]piperidine-1-carboxylate

Inchi
InChI=1S/C13H23NO5S/c1-13(2,3)19-12(16)14-7-5-6-10(8-14)11(15)9-20(4,17)18/h10H,5-9H2,1-4H3
InChkey
QWPLMQDSSZGEIH-UHFFFAOYSA-N
Canonical Smiles
CC(C)(C)OC(=O)N1CCCC(C1)C(=O)CS(=O)(=O)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

Computational chemical data
  • Molecular Weight:305.389g/mol
  • Molecular Formula:C13H23NO5S
  • Compound Is Canonicalized:True
  • Exact Mass:305.13
  • Monoisotopic Mass:305.13
  • Complexity:472
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:89.1A^2
  • Heavy Atom Count:20
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceByOABAAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAAAAAAAHgQAAAAADUTFwASCCAMABAoI AIAQGHBAAAAAABAAAAEIAAAAABoggAAMAAAABgCAAAEYAQAOAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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