5-Amino-2-dodecylbenzenesulphonic acid

Base Information

• Chemical Name: 5-Amino-2-dodecylbenzenesulphonic acid
• CAS No.: 80822-87-3
• Molecular Formula: C18H31 N O3 S
• Molecular Weight: 341.50864
• European Community (EC) Number: 279-574-1
• DSSTox Substance ID: DTXSID801001542
• Nikkaji Number: J320.324G
• Wikidata: Q82995487
• Mol file: 80822-87-3.mol

Synonyms:5-Amino-2-dodecylbenzenesulphonic acid;80822-87-3;5-amino-2-dodecylbenzenesulfonic acid;EINECS 279-574-1;SCHEMBL156572;C18H31NO3S;DTXSID801001542;C18-H31-N-O3-S;5-Amino-2-dodecylbenzene-1-sulfonic acid

Chemical Property of 5-Amino-2-dodecylbenzenesulphonic acid

Chemical Property:

• PSA: 88.77000
• Density: 1.093g/cm³
• LogP: 6.64090
• XLogP3: 6.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 12
• Exact Mass: 341.20246502
• Heavy Atom Count: 23
• Complexity: 392

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCC1=C(C=C(C=C1)N)S(=O)(=O)O