Cas no 2624109-54-0 ((3R)-3-(dimethylamino)butanoic acid)

(3R)-3-(dimethylamino)butanoic acid structure
2624109-54-0 structure
Product Name:(3R)-3-(dimethylamino)butanoic acid
CAS No:2624109-54-0
MF:C6H13NO2
MW:131.172921895981
MDL:MFCD33509491
CID:5639074
PubChem ID:22803722
Update Time:2024-03-01

(3R)-3-(dimethylamino)butanoic acid Chemical and Physical Properties

Names and Identifiers

    • SCHEMBL103866
    • (3R)-3-(dimethylamino)butanoic acid
    • EN300-27754140
    • 2624109-54-0
    • Butanoic acid, 3-(dimethylamino)-, (3R)-
    • MDL: MFCD33509491
    • Inchi: 1S/C6H13NO2/c1-5(7(2)3)4-6(8)9/h5H,4H2,1-3H3,(H,8,9)/t5-/m1/s1
    • InChI Key: SURVRMRLLSFWHA-RXMQYKEDSA-N
    • SMILES: C(O)(=O)C[C@H](N(C)C)C

Computed Properties

  • Exact Mass: 131.094628657g/mol
  • Monoisotopic Mass: 131.094628657g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 3
  • Complexity: 101
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -2.1
  • Topological Polar Surface Area: 40.5?2

Experimental Properties

  • Density: 1.010±0.06 g/cm3(Predicted)
  • Boiling Point: 199.3±23.0 °C(Predicted)
  • pka: 3.68±0.16(Predicted)

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