Cas no 77481-12-0 (Butanoic acid,2-[[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]amino]-)

Butanoic acid,2-[[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]amino]- structure
77481-12-0 structure
Product Name:Butanoic acid,2-[[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]amino]-
CAS No:77481-12-0
MF:C16H20N2O4S
MW:336.406002998352
CID:576690
PubChem ID:630680
Update Time:2025-04-19

Butanoic acid,2-[[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]amino]- Chemical and Physical Properties

Names and Identifiers

    • Butanoic acid,2-[[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]amino]-
    • (1)-2-(((5-(Dimethylamino)-1-naphthyl)sulphonyl)amino)butyric acid
    • 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]butanoic acid
    • (±)-N-Dansyl-alpha-amino-n-butyric acid
    • DL-Dansyl-alpha-amino-n-butyric acid
    • DL-Dansyl-alpha-aminobutyric acid
    • Dansyl-DL-alpha-aminobutyric acid
    • SCHEMBL5706271
    • Dansyl-dl-2-aminobutyric acid
    • 2-{[5-(Dimethylamino)naphthalene-1-sulfonyl]amino}butanoic acid
    • 2-(([5-(Dimethylamino)-1-naphthyl]sulfonyl)amino)butanoic acid #
    • 77481-12-0
    • WHTSAZUJHJPZOV-UHFFFAOYSA-N
    • EINECS 278-692-0
    • DTXSID80998673
    • N-Dansyla-Aminobutyric Acid
    • Inchi： 1S/C16H20N2O4S/c1-4-13(16(19)20)17-23(21,22)15-10-6-7-11-12(15)8-5-9-14(11)18(2)3/h5-10,13,17H,4H2,1-3H3,(H,19,20)
    • InChI Key： WHTSAZUJHJPZOV-UHFFFAOYSA-N
    • SMILES： S(C1C=CC=C2C(=CC=CC=12)N(C)C)(NC(C(=O)O)CC)(=O)=O

Computed Properties

  • Exact Mass: 336.11437830g/mol
  • Monoisotopic Mass: 336.11437830g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 6
  • Complexity: 515
  • 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
  • XLogP3: 2.9
  • Topological Polar Surface Area: 95.1?2

Experimental Properties

  • Density: 1.310±0.06 g/cm3 (20 oC 760 Torr),
  • Solubility: Almost insoluble (0.029 g/l) (25 o C),

Butanoic acid,2-[[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]amino]- Security Information

  • WGK Germany：3
  • Storage Condition：?20°C

Butanoic acid,2-[[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]amino]- Related Literature

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