(S)-1-tert-butyl 2-methyl 6-oxopiperidine-1,2-dicarboxylate

Base Information

• Chemical Name: (S)-1-tert-butyl 2-methyl 6-oxopiperidine-1,2-dicarboxylate
• CAS No.: 183890-38-2
• Molecular Formula: C12H19NO5
• Molecular Weight: 257.28300
• DSSTox Substance ID: DTXSID60440822
• Nikkaji Number: J786.111G
• Wikidata: Q82257249
• Mol file: 183890-38-2.mol

Synonyms:PIP072;SCHEMBL18018362;DTXSID60440822;YEPHUWXGDVXZPY-QMMMGPOBSA-N;183890-38-2;C92650;(S)-1-tert-butyl 2-methyl 6-oxopiperidine-1,2-dicarboxylate;1-(TERT-BUTYL) 2-METHYL (S)-6-OXOPIPERIDINE-1,2-DICARBOXYLATE;(2S)-6-Oxopiperidine-1,2alpha-dicarboxylic acid 1-tert-butyl 2-methyl ester

Chemical Property of (S)-1-tert-butyl 2-methyl 6-oxopiperidine-1,2-dicarboxylate

Chemical Property:

• Melting Point: 52-54 °C
• Boiling Point: 377.1±35.0 °C(Predicted)
• PSA: 72.91000
• Density: 1.175±0.06 g/cm3(Predicted)
• LogP: 1.41350
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 257.12632271
• Heavy Atom Count: 18
• Complexity: 358

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1C(CCCC1=O)C(=O)OC
• Isomeric SMILES: CC(C)(C)OC(=O)N1[C@@H](CCCC1=O)C(=O)OC

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