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Home> Encyclopedia > Hot Product Listed F   > FZNNOLMIECALJP-UHFFFAOYSA-N
815593-60-3 structure

FZNNOLMIECALJP-UHFFFAOYSA-N

Iupac Name:2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoic acid
CAS No.:815593-60-3
Molecular Weight:257.33
Molecular Formula:C13H23NO4 (isomer)
Names and Identifiers
Synonyms

0092AF 1-boc-piperidine-4-yl-propionic acid 2-(1-(tert-butoxycarbonyl)piperidin-4-yl)propanoic acid 2-[1-(tert-butoxycarbonyl)piperidin-4-yl)propanoic acid 2-[1-(tert-butoxycarbonyl)piperidin-4-yl]propanoic acid 4-(1-carboxy-ethyl)-piperidine-1-carboxylic acid tert-butyl ester 4-piperidineacetic acid, 1-[(1,1-dimethylethoxy)carbonyl]- AK185882 AKOS005174403 ALBB-013976 AMPD00014 DB-005694 DB-064053 MCULE-4583701570 mfcd15146529 MOLPORT-008-154-602 SCHEMBL1422213 T3768 zx-an012724 zx-av000544

Inchi
InChI=1S/C13H23NO4/c1-9(11(15)16)10-5-7-14(8-6-10)12(17)18-13(2,3)4/h9-10H,5-8H2,1-4H3,(H,15,16)
InChkey
FZNNOLMIECALJP-UHFFFAOYSA-N
Canonical Smiles
CC(C1CCN(CC1)C(=O)OC(C)(C)C)C(=O)O
Safety and Handling
HazardClass
IRRITANT
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:257.33g/mol
  • Molecular Formula:C13H23NO4
  • Compound Is Canonicalized:True
  • Exact Mass:257.163
  • Monoisotopic Mass:257.163
  • Complexity:313
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:66.8A^2
  • Heavy Atom Count:18
  • 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: AAADceByOAAAAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAAAAAAAHgAACAAADUTBgAQCCAMABgAI AACQGAAAAAAAAAAAAAEIAAAAABIAgAAMQAAEBgCAAACYEQIOgAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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