Cas no 4512-46-3 (3,3,6,6-tetramethylpiperazine-2,5-dione)

3,3,6,6-tetramethylpiperazine-2,5-dione structure
4512-46-3 structure
Product Name:3,3,6,6-tetramethylpiperazine-2,5-dione
CAS No:4512-46-3
MF:C8H14N2O2
MW:170.208961963654
CID:929809
PubChem ID:225571
Update Time:2025-04-19

3,3,6,6-tetramethylpiperazine-2,5-dione Chemical and Physical Properties

Names and Identifiers

    • 3,3,6,6-tetramethylpiperazine-2,5-dione
    • 2-CARBOXY-6-NITROBENZENEACETIC ACID
    • Nsc15127
    • 2, 3,3,6,6-tetramethyl-
    • 2,2,5,5-tetramethyl-3,6-piperazinedione
    • 3,3,6,6-Tetramethyl-2,5-dioxopiperazin
    • 3,3,6,6-tetramethyl-2,5-dioxopiperazine
    • 3,3,6,6-Tetramethylpiperazin-2,5-dion
    • 3,3,6,6-Tetramethyl-piperazin-2,5-dion
    • 3,3,6,6-tetramethyl-piperazine-2,5-dione
    • AC1Q6GL0
    • AR-1E8451
    • CTK4I8632
    • SureCN6467970
    • NSC-15127
    • calphaalpha
    • Q27896110
    • UNII-K8N64G649O
    • SCHEMBL6467970
    • InChI=1/C8H14N2O2/c1-7(2)5(11)10-8(3,4)6(12)9-7/h1-4H3,(H,9,12)(H,10,11
    • 2,5-Piperazinedione, 3,3,6,6-tetramethyl-
    • AKOS013569000
    • 2,5-PIPERAZINEDIONE,3,3,6,6-TETRAMETHYL
    • 3,3,6,6-Tetramethyl-2,5-piperazinedione
    • 4512-46-3
    • NSC 15127
    • K8N64G649O
    • DTXSID80280025
    • Inchi: 1S/C8H14N2O2/c1-7(2)5(11)10-8(3,4)6(12)9-7/h1-4H3,(H,9,12)(H,10,11)
    • InChI Key: JCMJBJSKXVZKEI-UHFFFAOYSA-N
    • SMILES: O=C1C(C)(C)NC(C(C)(C)N1)=O

Computed Properties

  • Exact Mass: 170.10562
  • Monoisotopic Mass: 170.105527694g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 217
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.1
  • Topological Polar Surface Area: 58.2?2

Experimental Properties

  • PSA: 58.2
  • LogP: 0.44720
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