Cas no 96705-92-9 (2,5-Piperazinedicarboxylicacid, trans- (9CI))

2,5-Piperazinedicarboxylicacid, trans- (9CI) structure
96705-92-9 structure
Product Name:2,5-Piperazinedicarboxylicacid, trans- (9CI)
CAS No:96705-92-9
MF:C6H10N2O4
MW:174.154601573944
CID:800548
PubChem ID:13526529
Update Time:2025-04-19

2,5-Piperazinedicarboxylicacid, trans- (9CI) Chemical and Physical Properties

Names and Identifiers

    • 2,5-Piperazinedicarboxylicacid, trans- (9CI)
    • (2R,5S)-PIPERAZINE-2,5-DICARBOXYLIC ACID
    • (2S,5R)-piperazine-2,5-dicarboxylic acid
    • 96705-92-9
    • SCHEMBL10516180
    • DTXSID80542958
    • AKOS006278966
    • Inchi: 1S/C6H10N2O4/c9-5(10)3-1-7-4(2-8-3)6(11)12/h3-4,7-8H,1-2H2,(H,9,10)(H,11,12)/t3-,4+
    • InChI Key: FBYDNPVPBDAFFV-ZXZARUISSA-N
    • SMILES: OC([C@H]1CN[C@H](C(=O)O)CN1)=O

Computed Properties

  • Exact Mass: 174.06405680g/mol
  • Monoisotopic Mass: 174.06405680g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 184
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -6.2
  • Topological Polar Surface Area: 98.7?2
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