4-[4-[(1E,3E)-4-[4-(dipentylamino)phenyl]buta-1,3-dienyl]pyridin-1-ium-1-yl]butane-1-sulfonate

Base Information

• Chemical Name: 4-[4-[(1E,3E)-4-[4-(dipentylamino)phenyl]buta-1,3-dienyl]pyridin-1-ium-1-yl]butane-1-sulfonate
• CAS No.: 107610-19-5
• Molecular Formula: C29H42 N2 O3 S
• Molecular Weight: 498.7204
• UNII: M85M46IKC9
• DSSTox Substance ID: DTXSID30148141
• Wikidata: Q27283614
• Mol file: 107610-19-5.mol

Synonyms:Pyridinium, 4-(4-(4-(dipentylamino)phenyl)-1,3-butadienyl)-1-(4-sulfobutyl)-, hydroxide, inner salt;RH 421;RH-421

Chemical Property of 4-[4-[(1E,3E)-4-[4-(dipentylamino)phenyl]buta-1,3-dienyl]pyridin-1-ium-1-yl]butane-1-sulfonate

Chemical Property:

• Melting Point: >200℃
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 72.70000
• Density: g/cm³
• LogP: 7.29370
• Storage Temp.: 2-8°C
• Solubility.: DMF: soluble
• XLogP3: 7.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 16
• Exact Mass: 498.29161438
• Heavy Atom Count: 35
• Complexity: 662

Purity/Quality:

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

RH 421 ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25-22

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCN(CCCCC)C1=CC=C(C=C1)C=CC=CC2=CC=[N+](C=C2)CCCCS(=O)(=O)[O-]
• Isomeric SMILES: CCCCCN(CCCCC)C1=CC=C(C=C1)/C=C/C=C/C2=CC=[N+](C=C2)CCCCS(=O)(=O)[O-]
• Uses: RH 421 is a chromogenic substrate for β-galactosidase that forms magenta or red percipitate upon hydrolysis. Also suggested to be useful as a neuron-tracing dye monitoring neuronal activity.