Cas no 189079-35-4 (1-Butanol,4-(dimethylamino)-2-(methylamino)-)

1-Butanol,4-(dimethylamino)-2-(methylamino)- structure
189079-35-4 structure
Product Name:1-Butanol,4-(dimethylamino)-2-(methylamino)-
CAS No:189079-35-4
MF:C7H18N2O
MW:146.230621814728
CID:115525
PubChem ID:21463812
Update Time:2025-04-18

1-Butanol,4-(dimethylamino)-2-(methylamino)- Chemical and Physical Properties

Names and Identifiers

    • 1-Butanol,4-(dimethylamino)-2-(methylamino)-
    • 1-Butanol,4-(dimethylamino)-2-(methylamino)-(9CI)
    • SCHEMBL5694829
    • 4-(DIMETHYLAMINO)-2-(METHYLAMINO)BUTAN-1-OL
    • AKOS013568175
    • 189079-35-4
    • Inchi: 1S/C7H18N2O/c1-8-7(6-10)4-5-9(2)3/h7-8,10H,4-6H2,1-3H3
    • InChI Key: KOHUGDXETQSBCV-UHFFFAOYSA-N
    • SMILES: OCC(CCN(C)C)NC

Computed Properties

  • Exact Mass: 146.142
  • Monoisotopic Mass: 146.142
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 5
  • Complexity: 76
  • 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
  • Topological Polar Surface Area: 35.5A^2
  • XLogP3: -0.4
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