Cas no 49582-46-9 (4,4-Bis(dimethylamino)-3-buten-2-one)

4,4-Bis(dimethylamino)-3-buten-2-one structure
49582-46-9 structure
Product Name:4,4-Bis(dimethylamino)-3-buten-2-one
CAS No:49582-46-9
MF:C8H16N2O
MW:156.225441932678
CID:2669517
Update Time:2023-08-06

4,4-Bis(dimethylamino)-3-buten-2-one Chemical and Physical Properties

Names and Identifiers

    • 4,4-Bis(dimethylamino)-3-buten-2-one
    • 3-Buten-2-one, 4,4-bis(dimethylamino)-
    • VDHBEHCNGONUNX-UHFFFAOYSA-N
    • 4,4-Bis(dimethylamino)-3-buten-2-one #
    • Inchi: 1S/C8H16N2O/c1-7(11)6-8(9(2)3)10(4)5/h6H,1-5H3
    • InChI Key: VDHBEHCNGONUNX-UHFFFAOYSA-N
    • SMILES: O=C(C)/C=C(\N(C)C)/N(C)C

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 3
  • Complexity: 161
  • Topological Polar Surface Area: 23.6
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