4-[(5-Amino-3-methyl-1-phenylpyrazol-4-yl)diazenyl]-2,5-dichlorobenzenesulfonic acid;2-[bis(2-hydroxyethyl)amino]ethanol
Basic information
- CAS
62106-21-2- Standard SMILES
Cc1nn(-c2ccccc2)c(N)c1N=Nc1cc(Cl)c(S(=O)(=O)O)cc1Cl.OCCN(CCO)CCO- InChIKey
JXWGOVHOROKRSH-UHFFFAOYSA-N- Molecular formula
- C22H28Cl2N6O6S
- Average molar mass
- 575.5 g/mol
- Monoisotopic mass
- 574.1168092
Names & identifiers
- Preferred name
- 4-[(5-Amino-3-methyl-1-phenylpyrazol-4-yl)diazenyl]-2,5-dichlorobenzenesulfonic acid;2-[bis(2-hydroxyethyl)amino]ethanol
- IUPAC
- 4-[(5-amino-3-methyl-1-phenylpyrazol-4-yl)diazenyl]-2,5-dichlorobenzenesulfonic acid;2-[bis(2-hydroxyethyl)amino]ethanol
Names & synonyms
62106-21-2DTXSID50695424-[(5-Amino-3-methyl-1-phenyl-1H-pyrazol-4-yl)diazenyl]-2,5-dichlorobenzene-1-sulfonic acid--2,2',2''-nitrilotri(ethan-1-ol) (1/1)
Database identifiers
- CAS
62106-21-2- PubChem CID
- 112807
- DTXSID
DTXSID5069542
Properties
Computed structural properties
- Topological polar surface area
- 195 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 10
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 696
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenesulfonic acid, 4-[2-(5-amino-3-methyl-1-phenyl-1H-pyrazol-4-yl)diazenyl]-2,5-dichloro-, compd. with 2,2',2''-nitrilotris[ethanol] (1:1): INACTIVE
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Related reactions
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Compound notes
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