Basic information
- CAS
36505-52-9- Standard SMILES
Cc1ccc(NC(=O)c2cc(O)c(N=Nc3cc(S(=O)(=O)O)ccc3O)c3ccccc23)c(C)c1- InChIKey
JZQONTDEAKNNEP-UHFFFAOYSA-N- Molecular formula
- C25H21N3O6S
- Average molar mass
- 491.5 g/mol
- Monoisotopic mass
- 491.11510657
Names & identifiers
- Preferred name
- 3-[[4-[[(2,4-Dimethylphenyl)amino]carbonyl]-2-hydroxy-1-naphthyl]azo]-4-hydroxybenzenesulphonic acid
- IUPAC
- 3-[[4-[(2,4-dimethylphenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-4-hydroxybenzenesulfonic acid
- English name
- XYLIDYL BLUE I
- Molecular formula
- C25H21N3O6S
- Molecular weight
- 491.52
Names & synonyms
36505-52-93-[[4-[[(2,4-dimethylphenyl)amino]carbonyl]-2-hydroxy-1-naphthyl]azo]-4-hydroxybenzenesulphonic acid3-[[4-[(2,4-dimethylphenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-4-hydroxybenzenesulfonic acid3-((4-(((2,4-Dimethylphenyl)amino)carbonyl)-2-hydroxy-1-naphthyl)azo)-4-hydroxybenzenesulphonic acidEINECS 253-071-7Xylidyl Blue 1JZQONTDEAKNNEP-UHFFFAOYSA-NSOXKYBCPOWWKHQ-ZZIIXHQDSA-NDTXSID001108312NS000579343-[(E)-[4-[(2,4-dimethylphenyl)carbamoyl]-2-hydroxy-1-naphthyl]azo]-4-hydroxy-benzenesulfonic acid3-[2-[4-[[(2,4-Dimethylphenyl)amino]carbonyl]-2-hydroxy-1-naphthalenyl]diazenyl]-4-hydroxybenzenesulfonic acid
Show more names
XylidylbuleIxylylazovioletXYLIDYL BLUE IXYLYLAZO VIOLET I3-[[4-[(2,4-Dimethylphenyl)carbamoyl]-2-hydroxy-1-naphtyl]azo]-4-hydroxybenzenesulfonic acid3-[[4-[[(2,4-dimethylphenyl)amino]carbonyl]-2-hydroxy-1-naphthalenyl]azo]-4-hydroxy-Benzenesulfonicacid
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 157 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 877
Physicochemical properties
- Density
- 1.43 · 1.43±0.1 g/cm3(Predicted)
- pka
- -0.6 · -0.60±0.50(Predicted)
Chemistry & industry
Suppliers2 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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