Cas no 24885-60-7 (1,3-Cyclohexanedicarboxylicacid, 1-amino-, (1R,3R)-rel-)

1,3-Cyclohexanedicarboxylicacid, 1-amino-, (1R,3R)-rel- structure
24885-60-7 structure
Product Name:1,3-Cyclohexanedicarboxylicacid, 1-amino-, (1R,3R)-rel-
CAS No:24885-60-7
MF:C8H13NO4
MW:187.193122625351
CID:258562
PubChem ID:168210
Update Time:2025-04-19

1,3-Cyclohexanedicarboxylicacid, 1-amino-, (1R,3R)-rel- Chemical and Physical Properties

Names and Identifiers

    • 1,3-Cyclohexanedicarboxylicacid, 1-amino-, (1R,3R)-rel-
    • (1R,3R)-1-aminocyclohexane-1,3-dicarboxylic acid
    • 1-Amino-1,3-cyclohexanedicarboxylic acid
    • Cycloglutamate
    • 1-aminocyclohexane-1,3-dicarboxylic acid
    • DTXSID30947777
    • 24885-60-7
    • Inchi: 1S/C8H13NO4/c9-8(7(12)13)3-1-2-5(4-8)6(10)11/h5H,1-4,9H2,(H,10,11)(H,12,13)/t5-,8-/m1/s1
    • InChI Key: FOJYRYZUTAPBAJ-SVGQVSJJSA-N
    • SMILES: OC([C@]1(CCC[C@@H](C(=O)O)C1)N)=O

Computed Properties

  • Exact Mass: 187.084
  • Monoisotopic Mass: 187.084
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 240
  • 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: -2.8
  • Topological Polar Surface Area: 101?2

Experimental Properties

  • Density: 1.366
  • Boiling Point: 363.1°Cat760mmHg
  • Flash Point: 173.4°C
  • Refractive Index: 1.545
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