5-Acetamido-3-((4-((3-(((4-(2,4-di(tert-pentyl)phenoxy)butyl)amino)carbonyl)-4-hydroxy-1-naphthyl)oxy)phenyl)azo)-4-hydroxynaphthalene-2,7-disulphonic acid, compound with pyridine (1:2)
Basic information
- CAS
63217-29-8- Standard SMILES
CCC(C)(C)c1ccc(OCCCCNC(=O)c2cc(Oc3ccc(N=Nc4c(S(=O)(=O)O)cc5cc(S(=O)(=O)O)cc(NC(C)=O)c5c4O)cc3)c3ccccc3c2O)c(C(C)(C)CC)c1.c1ccncc1.c1ccncc1- InChIKey
XFOQPJHUIDKFPA-UHFFFAOYSA-N- Molecular formula
- C49H54N4O12S2.2C5H5N
- Average molar mass
- 1,113.3 g/mol
- Monoisotopic mass
- 1,112.40236385
Names & identifiers
- Preferred name
- 5-Acetamido-3-((4-((3-(((4-(2,4-di(tert-pentyl)phenoxy)butyl)amino)carbonyl)-4-hydroxy-1-naphthyl)oxy)phenyl)azo)-4-hydroxynaphthalene-2,7-disulphonic acid, compound with pyridine (1:2)
- IUPAC
- 5-acetamido-3-[[4-[3-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butylcarbamoyl]-4-hydroxynaphthalen-1-yl]oxyphenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid;bis(pyridine)
Names & synonyms
DTXSID206978963217-29-85-Acetamido-3-((4-((3-(((4-(2,4-di(tert-pentyl)phenoxy)butyl)amino)carbonyl)-4-hydroxy-1-naphthyl)oxy)phenyl)azo)-4-hydroxynaphthalene-2,7-disulphonic acid, compound with pyridine (1:2)5-acetamido-3-[[4-[[3-[[[4-[2,4-di(tert-pentyl)phenoxy]butyl]amino]carbonyl]-4-hydroxy-1-naphthyl]oxy]phenyl]azo]-4-hydroxynaphthalene-2,7-disulphonic acid, compound with pyridine (1:2)RefChem:300786DTXCID8043785264-025-0EINECS 264-025-05-Acetamido-3-[(4-{[3-({4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl}carbamoyl)-4-hydroxynaphthalen-1-yl]oxy}phenyl)diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid--pyridine (1/2)
Database identifiers
- CAS
63217-29-8- PubChem CID
- 113149
- DTXSID
DTXSID2069789- EC Number
- 264-025-0
Properties
Computed structural properties
- Topological polar surface area
- 293 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 18
- Heavy atoms
- 79
- Formal charge
- 0
- Complexity
- 1,930
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: 2,7-Naphthalenedisulfonic acid, 5-(acetylamino)-3-[[4-[[3-[[[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]amino]carbonyl]-4-hydroxy-1-naphthalenyl]oxy]phenyl]azo]-4-hydroxy-, compound with pyridine (1:2)
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2,7-Naphthalenedisulfonic acid, 5-(acetylamino)-3-[2-[4-[[3-[[[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]amino]carbonyl]-4-hydroxy-1-naphthalenyl]oxy]phenyl]diazenyl]-4-hydroxy-, compd. with pyridine (1:2): ACTIVE
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…