Cas no 406947-32-8 (3-aminobicyclo[1.1.1]pentane-1-carboxylic acid)

3-aminobicyclo[1.1.1]pentane-1-carboxylic acid structure
406947-32-8 structure
Product Name:3-aminobicyclo[1.1.1]pentane-1-carboxylic acid
CAS No:406947-32-8
MF:C6H9NO2
MW:127.141161680222
MDL:MFCD18826734
CID:326142
PubChem ID:25324661
Update Time:2025-04-19

3-aminobicyclo[1.1.1]pentane-1-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • Bicyclo[1.1.1]pentane-1-carboxylicacid, 3-amino-
    • 3-Aminobicyclo[1.1.1]pentane-1-carboxylic acid
    • Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-amino- (9CI)
    • 3-Amino-bicyclo[1.1.1]pentane-1-carboxylic acid
    • SY046671
    • BS-49831
    • DTXSID60649590
    • KISLXTLDZXDHNN-UHFFFAOYSA-N
    • SCHEMBL21028347
    • 406947-32-8
    • CS-0078687
    • Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-amino-
    • AKOS026740797
    • SB13285
    • F77094
    • MFCD18826734
    • EN300-147191
    • EN300-27780602
    • SCHEMBL15001678
    • SCHEMBL23998447
    • 3-Aminobicyclo[1.1.1]pentane-1-carboxylicacid
    • DB-228557
    • 3-aminobicyclo[1.1.1]pentane-1-carboxylic acid
    • MDL: MFCD18826734
    • Inchi: 1S/C6H9NO2/c7-6-1-5(2-6,3-6)4(8)9/h1-3,7H2,(H,8,9)
    • InChI Key: KISLXTLDZXDHNN-UHFFFAOYSA-N
    • SMILES: OC(C12CC(C1)(C2)N)=O

Computed Properties

  • Exact Mass: 127.063328530g/mol
  • Monoisotopic Mass: 127.063328530g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 168
  • 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: -3.1
  • Topological Polar Surface Area: 63.3?2

3-aminobicyclo[1.1.1]pentane-1-carboxylic acid Pricemore >>

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