6-Amino-2,3-dihydro-2-methyl-1,3-dioxo-1H-benz(de)isoquinoline-5-sulphonic acid

Base Information

• Chemical Name: 6-Amino-2,3-dihydro-2-methyl-1,3-dioxo-1H-benz(de)isoquinoline-5-sulphonic acid
• CAS No.: 58232-39-6
• Molecular Formula: C13H10 N2 O5 S
• Molecular Weight: 306.2939
• European Community (EC) Number: 261-174-3
• DSSTox Substance ID: DTXSID10206970
• Nikkaji Number: J296.904A
• Wikidata: Q83080866
• Mol file: 58232-39-6.mol

Synonyms:58232-39-6;EINECS 261-174-3;C13H10N2O5S;6-Amino-2,3-dihydro-2-methyl-1,3-dioxo-1H-benz(de)isoquinoline-5-sulphonic acid;6-amino-2,3-dihydro-2-methyl-1,3-dioxo-1H-benz[de]isoquinoline-5-sulphonic acid;6-amino-2-methyl-1,3-dioxo-2,3-dihydro-1h-benzo[de]isoquinoline-5-sulfonic acid;DTXSID10206970;STL325374;AKOS003211957;6-Amino-2,3-dihydro-2-methyl-1,3-dioxo-1H-benzo[de]isoquinoline-5-sulfonic acid

Chemical Property of 6-Amino-2,3-dihydro-2-methyl-1,3-dioxo-1H-benz(de)isoquinoline-5-sulphonic acid

Chemical Property:

• PSA: 127.84000
• Density: 1.685g/cm³
• LogP: 1.98060
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 306.03104260
• Heavy Atom Count: 21
• Complexity: 584

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=O)C2=CC=CC3=C2C(=CC(=C3N)S(=O)(=O)O)C1=O