3-[[5-(Dimethylamino)naphthalen-1-yl]sulfonylamino]propanoic acid

Base Information

• Chemical Name: 3-[[5-(Dimethylamino)naphthalen-1-yl]sulfonylamino]propanoic acid
• CAS No.: 1093-97-6
• Molecular Formula: C15H18 N2 O4 S
• Molecular Weight: 322.38
• DSSTox Substance ID: DTXSID501236582
• Nikkaji Number: J439.822J
• Mol file: 1093-97-6.mol

Synonyms:Dansyl-beta-alanine cyclohexylammonium salt;1093-97-6;3-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]propanoic acid;dansyl beta alanin;SCHEMBL23454427;DTXSID501236582;N-[[5-(Dimethylamino)-1-naphthyl]sulfonyl]-beta-alanine;3-((5-(dimethylamino)naphthalene)-1-sulfonamido)propanoic acid;3-(5-(dimethylamino)naphthalene-1-sulfonamido)propanoic acid;N-[[5-(Dimethylamino)-1-naphthalenyl]sulfonyl]-beta-alanine

Chemical Property of 3-[[5-(Dimethylamino)naphthalen-1-yl]sulfonylamino]propanoic acid

Chemical Property:

• Boiling Point: 537.2±60.0 °C(Predicted)
• PKA: 4.17±0.10(Predicted)
• PSA: 121.11000
• Density: 1.344±0.06 g/cm3(Predicted)
• LogP: 5.10860
• Storage Temp.: −20°C
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 322.09872823
• Heavy Atom Count: 22
• Complexity: 486

Purity/Quality:

98%,99%, ^*data from raw suppliers

DANSYL-BETA-ALANINE CYCLOHEXYLAMMONIUM SALT 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NCCC(=O)O