Basic information
- CAS
85959-49-5- Standard SMILES
Nc1cc(N)c(N=Nc2ccc(S(=O)(=O)O)c(N=Nc3cc(N=Nc4cccc(S(=O)(=O)O)c4)c(N)cc3N)c2)cc1N=Nc1cccc(S(=O)(=O)O)c1- InChIKey
LLUVTVMDWWOZPO-UHFFFAOYSA-N- Molecular formula
- C30H26N12O9S3
- Average molar mass
- 794.8 g/mol
- Monoisotopic mass
- 794.11078397
Names & identifiers
- Preferred name
- 2,4-Bis((2,4-diamino-5-((3-sulphophenyl)azo)phenyl)azo)benzenesulphonic acid
- IUPAC
- 2,4-bis[[2,4-diamino-5-[(3-sulfophenyl)diazenyl]phenyl]diazenyl]benzenesulfonic acid
- English name
- 2,4-bis[[2,4-diamino-5-[(3-sulphophenyl)azo]phenyl]azo]benzenesulphonic acid
- Molecular formula
- C30H26N12O9S3
- Molecular weight
- 794.8
Names & synonyms
85959-49-52,4-Bis((2,4-diamino-5-((3-sulphophenyl)azo)phenyl)azo)benzenesulphonic acidEINECS 289-043-6LLUVTVMDWWOZPO-UHFFFAOYSA-NDTXSID501123490NS000923122,4-Bis[2-[2,4-diamino-5-[2-(3-sulfophenyl)diazenyl]phenyl]diazenyl]benzenesulfonic acid3,3'-{(4-Sulfo-1,3-phenylene)bis[(diazene-2,1-diyl)(4,6-diamino-3,1-phenylene)diazene-2,1-diyl]}di(benzene-1-sulfonic acid)2,4-Bis[[2,4-diamino-5-[(3-sulfophenyl)azo]phenyl]azo]benzenesulfonic acid2,4-bis[[2,4-diamino-5-[(3-sulphophenyl)azo]phenyl]azo]benzenesulphonic acid
Database identifiers
- CAS
85959-49-5- PubChem CID
- 3021082
- DTXSID
DTXSID501123490- EC Number
- 289-043-6
- Nikkaji
- J317.549I
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 391 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 21
- Rotatable bonds
- 11
- Heavy atoms
- 54
- Formal charge
- 0
- Complexity
- 1,720
Physicochemical properties
- Density
- 1.772 · 1.772±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 0.884 · 0.884±0.15(predicted)
Chemistry & industry
Suppliers1 total
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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