Cas no 52336-46-6 (4-(4-aminobutyl)benzene-1,2-diol)

4-(4-aminobutyl)benzene-1,2-diol structure
52336-46-6 structure
Product Name:4-(4-aminobutyl)benzene-1,2-diol
CAS No:52336-46-6
MF:C10H15NO2
MW:181.231602907181
CID:359873
PubChem ID:11644631
Update Time:2025-07-29

4-(4-aminobutyl)benzene-1,2-diol Chemical and Physical Properties

Names and Identifiers

    • 1,2-Benzenediol, 4-(4-aminobutyl)-
    • 4-(4-aminobutyl)benzene-1,2-diol
    • 4-(3,4-dihydroxyphenyl)butylamine
    • EN300-1829941
    • SCHEMBL6707412
    • DTXSID20469953
    • 52336-46-6
    • Inchi: 1S/C10H15NO2/c11-6-2-1-3-8-4-5-9(12)10(13)7-8/h4-5,7,12-13H,1-3,6,11H2
    • InChI Key: HYUZDHUWLUSNER-UHFFFAOYSA-N
    • SMILES: OC1=C(C=CC(=C1)CCCCN)O

Computed Properties

  • Exact Mass: 181.11035
  • Monoisotopic Mass: 181.110278721g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 141
  • 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: -0.3
  • Topological Polar Surface Area: 66.5?2

Experimental Properties

  • PSA: 66.48

4-(4-aminobutyl)benzene-1,2-diol Pricemore >>

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