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3-Ethoxycarbonyl-2-piperidone - ≥97.0%(HPLC), high purity , CAS No.3731-16-6
Basic Description Synonyms C-1816 | SMR000427074 | 3-Piperidinecarboxylic acid, 2-oxo-, ethyl ester | A823592 | BBL010649 | 3-Fluoropyridine-5-boronic acid, pinacol ester | HMS1443B02 | Ethyl 2-oxo-3-piperidinecarboxylate # | Ethyl 2-oxo-3-piperidinecarboxylate, 99% | NCGC00246350- Specifications & Purity ≥97%(HPLC) Shipped In Normal
Names and Identifiers Pubchem Sid 488187078 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488187078 IUPAC Name ethyl 2-oxopiperidine-3-carboxylate INCHI InChI=1S/C8H13NO3/c1-2-12-8(11)6-4-3-5-9-7(6)10/h6H,2-5H2,1H3,(H,9,10) InChi Key DUMNOWYWTAYLJN-UHFFFAOYSA-N Canonical SMILES CCOC(=O)C1CCCNC1=O Isomeric SMILES CCOC(=O)C1CCCNC1=O WGK Germany 3 PubChem CID 97773 Molecular Weight 171.2 Beilstein 22(3/4)2907 Reaxy-Rn 6212
Certificates(CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solubility Soluble in Methanol Melt Point(°C) 82 °C Molecular Weight 171.190 g/mol XLogP3 0.500 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 3 Exact Mass 171.09 Da Monoisotopic Mass 171.09 Da Topological Polar Surface Area 55.400 Ų Heavy Atom Count 12 Formal Charge 0 Complexity 191.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 1 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
Safety and Hazards(GHS) Pictogram(s) GHS07 Signal Warning Hazard Statements H315: Causes skin irritation
H319: Causes serious eye irritation
H335: May cause respiratory irritation
Precautionary Statements P261: Avoid breathing dust/fume/gas/mist/vapors/spray.
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do - continue rinsing.
P280: Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352: IF ON SKIN: wash with plenty of water.
P321: Specific treatment (see ... on this label).
P405: Store locked up.
P501: Dispose of contents/container to ...
P264: Wash hands [and …] thoroughly after handling.
P271: Use only outdoors or in a well-ventilated area.
P304+P340: IF INHALED: Remove person to fresh air and keep comfortable for breathing.
P403+P233: Store in a well-ventilated place. Keep container tightly closed.
P362+P364: Take off contaminated clothing and wash it before reuse.
P264+P265: Wash hands [and …] thoroughly after handling. Do not touch eyes.
P337+P317: If eye irritation persists: Get medical help.
P332+P317: If skin irritation occurs: Get medical help.
P319: Get medical help if you feel unwell.
WGK Germany 3 Reaxy-Rn 6212
References 1. M Rodriguez, A Heitz, J Martinez,. (1992-03-01) "Carba" peptide bond surrogates. Different approaches to Gly-psi(CH2-CH2)-D,L-Xaa pseudo-dipeptide units.. International journal of peptide and protein research, 39 ((3)): (273-277). [PMID:1399267 ]
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