Cas no 581785-29-7 (HEXANEDIOIC ACID, 2-AMINO-, BIS(1,1-DIMETHYLETHYL) ESTER, (2S)-)

HEXANEDIOIC ACID, 2-AMINO-, BIS(1,1-DIMETHYLETHYL) ESTER, (2S)- structure
581785-29-7 structure
Product Name:HEXANEDIOIC ACID, 2-AMINO-, BIS(1,1-DIMETHYLETHYL) ESTER, (2S)-
CAS No:581785-29-7
MF:C14H27NO4
MW:273.368484735489
CID:3445105
PubChem ID:92135154
Update Time:2025-04-21

HEXANEDIOIC ACID, 2-AMINO-, BIS(1,1-DIMETHYLETHYL) ESTER, (2S)- Chemical and Physical Properties

Names and Identifiers

    • HEXANEDIOIC ACID, 2-AMINO-, BIS(1,1-DIMETHYLETHYL) ESTER, (2S)-
    • Hexanedioic acid, 2-amino-, 1,6-bis(1,1-dimethylethyl) ester, (2S)-
    • SCHEMBL23416460
    • H20305
    • 581785-29-7
    • Di-tert-butyl (S)-2-aminohexanedioate
    • Inchi: 1S/C14H27NO4/c1-13(2,3)18-11(16)9-7-8-10(15)12(17)19-14(4,5)6/h10H,7-9,15H2,1-6H3/t10-/m0/s1
    • InChI Key: GADCOXFZALWVJI-JTQLQIEISA-N
    • SMILES: C(OC(C)(C)C)(=O)[C@@H](N)CCCC(OC(C)(C)C)=O

Computed Properties

  • Exact Mass: 273.19400834Da
  • Monoisotopic Mass: 273.19400834Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 9
  • Complexity: 312
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.7
  • Topological Polar Surface Area: 78.6?2
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