Benzenesulfonic acid, 4-(4-((4-(bis(2-cyanoethyl)amino)phenyl)methylene)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-

Base Information

• Chemical Name: Benzenesulfonic acid, 4-(4-((4-(bis(2-cyanoethyl)amino)phenyl)methylene)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-
• CAS No.: 68541-05-9
• Molecular Formula: C23H21N5O4S
• Molecular Weight: 463.5089
• European Community (EC) Number: 271-338-6
• Nikkaji Number: J309.179A
• Mol file: 68541-05-9.mol

Synonyms:EINECS 271-338-6;68541-05-9;(E)-4-(4-(4-(Bis(2-cyanoethyl)amino)benzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid;1-(4-Sulfophenyl)-3-methyl-4-(4-(bis(cyanoethyl)amino)phenylmethylene)-4,5-dihydro-5-pyrazolone;Benzenesulfonic acid, 4-(4-((4-(bis(2-cyanoethyl)amino)phenyl)methylene)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-;C23H21N5O4S;C23-H21-N5-O4-S;4-(4-((4-(Bis(2-cyanoethyl)amino)phenyl)methylene)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonic acid;4-[4-[[4-[BIS(2-CYANOETHYL)AMINO]PHENYL]METHYLENE]-4,5-DIHYDRO-3-METHYL-5-OXO-1H-PYRAZOL-1-YL]BENZENESULPHONIC ACID;Benzenesulfonic acid, 4-[4-[[4-[bis(2-cyanoethyl)amino]phenyl]methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-;4-[[4-[[4-[Bis(2-cyanoethyl)amino]phenyl]methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol]-1-yl]benzenesulfonic acid

Chemical Property of Benzenesulfonic acid, 4-(4-((4-(bis(2-cyanoethyl)amino)phenyl)methylene)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.32g/cm³
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 8
• Exact Mass: 463.13142534
• Heavy Atom Count: 33
• Complexity: 961

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CC1=NN(C(=O)C1=CC2=CC=C(C=C2)N(CCC#N)CCC#N)C3=CC=C(C=C3)S(=O)(=O)O
• Isomeric SMILES: CC\1=NN(C(=O)/C1=C/C2=CC=C(C=C2)N(CCC#N)CCC#N)C3=CC=C(C=C3)S(=O)(=O)O

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