Cas no 38064-99-2 (Azacyclododecane-2-carboxylic Acid)

Azacyclododecane-2-carboxylic Acid structure
38064-99-2 structure
Product Name:Azacyclododecane-2-carboxylic Acid
CAS No:38064-99-2
MF:C12H23NO2
MW:213.316523790359
CID:1487793
PubChem ID:257792
Update Time:2025-04-21

Azacyclododecane-2-carboxylic Acid Chemical and Physical Properties

Names and Identifiers

    • Azacyclododecane-2-carboxylic Acid
    • AC1Q5UGA
    • AG-J-32466
    • SureCN6237057
    • AR-1H7612
    • Azacyclododecan-2-carbonsaeure
    • CTK4H9276
    • NSC86363
    • AC1L5XJ8
    • AC1Q5UGA; AG-J-32466; SureCN6237057; AR-1H7612; Azacyclododecan-2-carbonsaeure; CTK4H9276; NSC86363; AC1L5XJ8;
    • SCHEMBL6237057
    • DTXSID90292891
    • NSC-86363
    • 38064-99-2
    • Inchi: 1S/C12H23NO2/c14-12(15)11-9-7-5-3-1-2-4-6-8-10-13-11/h11,13H,1-10H2,(H,14,15)
    • InChI Key: ZMOYDNNDUWHMSU-UHFFFAOYSA-N
    • SMILES: OC(C1CCCCCCCCCCN1)=O

Computed Properties

  • Exact Mass: 213.17299
  • Monoisotopic Mass: 213.173
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 1
  • Complexity: 183
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.9
  • Topological Polar Surface Area: 49.3?2

Experimental Properties

  • Density: 0.964
  • Boiling Point: 361.2°C at 760 mmHg
  • Flash Point: 172.2°C
  • Refractive Index: 1.456
  • PSA: 49.33
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