Cas no 14664-67-6 (3-amino-5,7-dimethyladamantane-1-carboxylic acid)

3-amino-5,7-dimethyladamantane-1-carboxylic acid structure
14664-67-6 structure
Product Name:3-amino-5,7-dimethyladamantane-1-carboxylic acid
CAS No:14664-67-6
MF:C13H21NO2
MW:223.3113
CID:5061392
PubChem ID:579051
Update Time:2023-11-24

3-amino-5,7-dimethyladamantane-1-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 3-amino-5,7-dimethyladamantane-1-carboxylic acid
    • 3-Amino-5,7-dimethyl-1-adamantanecarboxylic acid
    • Oprea1_550799
    • HMS1627C01
    • STK676948
    • 3-Amino-5,7-dimethyl-1-adamantanecarboxylic acid #
    • Adamantane-1-carboxylic acid, 3-amino-5,7-dimethyl-
    • 3-amino-5,7-dimethyltricyclo[3.3.1.1~3,7~]decane-1-carboxylic acid
    • Inchi: 1S/C13H21NO2/c1-10-3-11(2)5-12(4-10,9(15)16)8-13(14,6-10)7-11/h3-8,14H2,1-2H3,(H,15,16)
    • InChI Key: VGTIAGCVYBEACG-UHFFFAOYSA-N
    • SMILES: O([H])C(C12C([H])([H])C3(C([H])([H])C(C([H])([H])[H])(C1([H])[H])C([H])([H])C(C([H])([H])[H])(C3([H])[H])C2([H])[H])N([H])[H])=O

Computed Properties

  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 1
  • Complexity: 358
  • XLogP3: -0.8
  • Topological Polar Surface Area: 63.3

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