Cas no 251461-90-2 (Spiro[3.4]octane-1-carboxylicacid, 3-amino-6,7-dimethyl-)

Spiro[3.4]octane-1-carboxylicacid, 3-amino-6,7-dimethyl- structure
251461-90-2 structure
Product Name:Spiro[3.4]octane-1-carboxylicacid, 3-amino-6,7-dimethyl-
CAS No:251461-90-2
MF:C11H19NO2
MW:197.27406334877
CID:246404
PubChem ID:10219812
Update Time:2025-04-19

Spiro[3.4]octane-1-carboxylicacid, 3-amino-6,7-dimethyl- Chemical and Physical Properties

Names and Identifiers

    • Spiro[3.4]octane-1-carboxylicacid, 3-amino-6,7-dimethyl-
    • Spiro[3.4]octane-1-carboxylic acid, 3-amino-6,7-dimethyl- (9CI)
    • 3-amino-6,7-dimethylspiro[3.4]octane-1-carboxylic acid
    • DTXSID40436884
    • 251461-90-2
    • SCHEMBL6356797
    • Inchi: 1S/C11H19NO2/c1-6-4-11(5-7(6)2)8(10(13)14)3-9(11)12/h6-9H,3-5,12H2,1-2H3,(H,13,14)
    • InChI Key: QVJIONWMZJFWAC-UHFFFAOYSA-N
    • SMILES: OC(C1CC(C21CC(C)C(C)C2)N)=O

Computed Properties

  • Exact Mass: 197.14167
  • Monoisotopic Mass: 197.141578849g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 254
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 4
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -1.1
  • Topological Polar Surface Area: 63.3?2

Experimental Properties

  • PSA: 63.32
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