3-Amino-alpha-(methylamino)toluene-4-sulphonic acid

Base Information

• Chemical Name: 3-Amino-alpha-(methylamino)toluene-4-sulphonic acid
• CAS No.: 19659-80-4
• Molecular Formula: C8H12 N2 O3 S
• Molecular Weight: 216.25748
• European Community (EC) Number: 243-206-8
• UNII: 6V2QS7RU3G
• DSSTox Substance ID: DTXSID20173326
• Nikkaji Number: J225.243K
• Wikidata: Q83043381
• Mol file: 19659-80-4.mol

Synonyms:3-Amino-alpha-(methylamino)toluene-4-sulphonic acid;19659-80-4;2-amino-4-(methylaminomethyl)benzenesulfonic acid;2-amino-4-[(methylamino)methyl]benzenesulfonic acid;3-Amino-alpha-(methylamino)toluene-4-sulfonic acid;EINECS 243-206-8;Benzenesulfonic acid, 2-amino-4-((methylamino)methyl)-;Benzenesulfonic acid, 2-amino-4-[(methylamino)methyl]-;6V2QS7RU3G;SCHEMBL4649652;DTXSID20173326

Chemical Property of 3-Amino-alpha-(methylamino)toluene-4-sulphonic acid

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 100.80000
• Density: 1.385g/cm³
• LogP: 2.28780
• XLogP3: -2.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 216.05686342
• Heavy Atom Count: 14
• Complexity: 273

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNCC1=CC(=C(C=C1)S(=O)(=O)O)N