4-((2-Bromoacryloyl)amino)-2-((5-carbamoyl-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl)azo)benzenesulphonic acid

Base Information

• Chemical Name: 4-((2-Bromoacryloyl)amino)-2-((5-carbamoyl-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl)azo)benzenesulphonic acid
• CAS No.: 93940-66-0
• Molecular Formula: C18H18 Br N5 O7 S
• Molecular Weight: 528.33382
• European Community (EC) Number: 300-464-7
• DSSTox Substance ID: DTXSID301100331
• Nikkaji Number: J310.465F
• Mol file: 93940-66-0.mol

Synonyms:EINECS 300-464-7;93940-66-0;4-((2-Bromoacryloyl)amino)-2-((5-carbamoyl-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl)azo)benzenesulphonic acid;4-[(2-bromoacryloyl)amino]-2-[[5-carbamoyl-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl]azo]benzenesulphonic acid;C18H18BrN5O7S;DTXSID301100331;C18-H18-Br-N5-O7-S;2-[[[5-(Aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxopyridin]-3-yl]azo]-4-[(2-bromo-1-oxo-2-propenyl)amino]benzenesulfonic acid;2-[2-[5-(Aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridinyl]diazenyl]-4-[(2-bromo-1-oxo-2-propen-1-yl)amino]benzenesulfonic acid

Chemical Property of 4-((2-Bromoacryloyl)amino)-2-((5-carbamoyl-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl)azo)benzenesulphonic acid

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.74g/cm³
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 7
• Exact Mass: 527.01103
• Heavy Atom Count: 32
• Complexity: 1040

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCN1C(=C(C(=C(C1=O)N=NC2=C(C=CC(=C2)NC(=O)C(=C)Br)S(=O)(=O)O)C)C(=O)N)O