Cas no 83969-15-7 (2-[Bis(2-hydroxyethyl)amino]ethanol;2-(dimethylcarbamoyl)benzoic acid)

2-[Bis(2-hydroxyethyl)amino]ethanol;2-(dimethylcarbamoyl)benzoic acid structure
83969-15-7 structure
Product Name:2-[Bis(2-hydroxyethyl)amino]ethanol;2-(dimethylcarbamoyl)benzoic acid
CAS No:83969-15-7
MF:C16H26N2O6
MW:342.387444972992
CID:888916
Update Time:2023-08-03

2-[Bis(2-hydroxyethyl)amino]ethanol;2-(dimethylcarbamoyl)benzoic acid Chemical and Physical Properties

Names and Identifiers

    • o-[(dimethylamino)carbonyl]benzoic acid, compound with 2,2',2''-nitrilotriethanol (1:1)
    • 2-[bis(2-hydroxyethyl)amino]ethanol,2-(dimethylcarbamoyl)benzoic acid
    • o-((Dimethylamino)carbonyl)benzoic acid, compound with 2,2',2''-nitrilotriethanol (1:1)
    • 2-(Dimethylcarbamoyl)benzoic acid--2,2',2''-nitrilotri(ethan-1-ol) (1/1)
    • 2-[Bis(2-hydroxyethyl)amino]ethanol;2-(dimethylcarbamoyl)benzoic acid
    • Inchi: 1S/C10H11NO3.C6H15NO3/c1-11(2)9(12)7-5-3-4-6-8(7)10(13)14;8-4-1-7(2-5-9)3-6-10/h3-6H,1-2H3,(H,13,14);8-10H,1-6H2
    • InChI Key: PIPWVZBGEFAMNA-UHFFFAOYSA-N
    • SMILES: OCCN(CCO)CCO.O=C(C1C=CC=CC=1C(=O)O)N(C)C

Computed Properties

  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 8
  • Complexity: 293
  • Topological Polar Surface Area: 122
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