Basic information
- CAS
124262-82-4- Standard SMILES
CN(C)c1ccc(C(Cc2ccccc2S(=O)(=O)O)c2ccc(N(C)C)cc2)cc1- InChIKey
MFEPWAJFBAHWAJ-UHFFFAOYSA-N- Molecular formula
- C24H28N2O3S
- Average molar mass
- 424.6 g/mol
- Monoisotopic mass
- 424.18206376
Overview
structure given in first source
Names & identifiers
- Preferred name
- Xylene cyanol
- IUPAC
- 2-[2,2-bis[4-(dimethylamino)phenyl]ethyl]benzenesulfonic acid
- English name
- xylene cyanol
- Molecular formula
- C24H28N2O3S
- Molecular weight
- 424.55572
Names & synonyms
124262-82-4DTXSID80154257RefChem:195496DTXCID6076748J46U694JYNXylene cyanol2-(2,2-Bis(4-(dimethylamino)phenyl)ethyl)benzenesulfonic acid2-[2,2-bis[4-(dimethylamino)phenyl]ethyl]benzenesulfonic acidSCHEMBL298939872-{2,2-bis[4-(dimethylamino)phenyl]ethyl}benzene-1-sulfonic acidBenzenesulfonic acid, 2-(2,2-bis(4-(dimethylamino)phenyl)ethyl)-
Database identifiers
- CAS
124262-82-4、2650-17-1- PubChem CID
- 130146
- DTXSID
DTXSID80154257- Nikkaji
- J3.054.310F
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 69.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 587
Experimental & physicochemical properties
Chemical ClassesDyes -> Di- and Triaryl Dyes
Safety & regulation
Hazard information
Regulatory InformationXylene cyanol: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryCan cause serious eye irritation; [Sigma-Aldrich MSDS]
Chemistry & industry
Suppliers1 total
BioWorld[email protected]
Related reactions
3 records
Compound notes
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