Cas no 1093-97-6 (b-Alanine,N-[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]-)

b-Alanine,N-[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]- structure
1093-97-6 structure
Product Name:b-Alanine,N-[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]-
CAS No:1093-97-6
MF:C15H18N2O4S
MW:322.379422664642
CID:117416
PubChem ID:688460
Update Time:2025-04-18

b-Alanine,N-[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]- Chemical and Physical Properties

Names and Identifiers

    • b-Alanine,N-[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]-
    • Cyclohexanaminium 3-({[5-(dimethylamino)-1-naphthyl]sulfonyl}amin o)propanoate
    • DANSYL-BETA-ALANINE CYCLOHEXYLAMMONIUM SALT
    • b-Alanine,N-[[5-(dimethylamino)-1-naphthyl]sulfonyl]- (7CI,8CI)
    • Dansyl-b-alanine
    • N-Dansyl-b-alanine
    • dansyl-B-alanine cyclohexylammonium
    • DANSYL-BETA-ALANINE CYCLOHEXYLAMMONIUM
    • dansyl-β-alanine cyclohexylammonium salt
    • DTXSID501236582
    • 3-((5-(dimethylamino)naphthalene)-1-sulfonamido)propanoic acid
    • SCHEMBL23454427
    • 3-(5-(dimethylamino)naphthalene-1-sulfonamido)propanoic acid
    • dansyl beta alanin
    • XSQICNCOMHYTCX-UHFFFAOYSA-N
    • N-[[5-(Dimethylamino)-1-naphthalenyl]sulfonyl]-beta-alanine
    • 1093-97-6
    • 3-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]propanoic acid
    • Inchi: 1S/C15H18N2O4S/c1-17(2)13-7-3-6-12-11(13)5-4-8-14(12)22(20,21)16-10-9-15(18)19/h3-8,16H,9-10H2,1-2H3,(H,18,19)
    • InChI Key: XSQICNCOMHYTCX-UHFFFAOYSA-N
    • SMILES: S(C1C=CC=C2C(=CC=CC=12)N(C)C)(NCCC(=O)O)(=O)=O

Computed Properties

  • Exact Mass: 421.20373
  • Monoisotopic Mass: 322.099
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 6
  • Complexity: 486
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.9
  • Topological Polar Surface Area: 95.1A^2

Experimental Properties

  • PSA: 117.18
  • LogP: 5.10860

b-Alanine,N-[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]- Security Information

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