Cas no 1781993-71-2 (3-Amino-2-(4,4-dimethylcyclohexyl)propan-1-ol)

3-Amino-2-(4,4-dimethylcyclohexyl)propan-1-ol structure
1781993-71-2 structure
Product Name:3-Amino-2-(4,4-dimethylcyclohexyl)propan-1-ol
CAS No:1781993-71-2
MF:C11H23NO
MW:185.306423425674
CID:5696915
PubChem ID:84071992
Update Time:2023-10-14

3-Amino-2-(4,4-dimethylcyclohexyl)propan-1-ol Chemical and Physical Properties

Names and Identifiers

    • EN300-1459303
    • 3-Amino-2-(4,4-dimethylcyclohexyl)propan-1-ol
    • 1781993-71-2
    • CID 84071992
    • Cyclohexaneethanol, β-(aminomethyl)-4,4-dimethyl-
    • Inchi: 1S/C11H23NO/c1-11(2)5-3-9(4-6-11)10(7-12)8-13/h9-10,13H,3-8,12H2,1-2H3
    • InChI Key: PULXXWIFDPNFGP-UHFFFAOYSA-N
    • SMILES: OCC(CN)C1CCC(C)(C)CC1

Computed Properties

  • Exact Mass: 185.177964357g/mol
  • Monoisotopic Mass: 185.177964357g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 146
  • 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: 2.2
  • Topological Polar Surface Area: 46.2?2

Experimental Properties

  • Density: 0.935±0.06 g/cm3(Predicted)
  • Boiling Point: 293.7±13.0 °C(Predicted)
  • pka: 14.80±0.10(Predicted)

3-Amino-2-(4,4-dimethylcyclohexyl)propan-1-ol Pricemore >>

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