Azobenzene, 4-bis(2-(methylsulfonyloxy)ethyl)amino-2'-carboxy-
Basic information
- CAS
40136-84-3- Standard SMILES
CS(=O)(=O)OCCN(CCOS(C)(=O)=O)c1ccc(N=Nc2ccccc2C(=O)O)cc1- InChIKey
VFDIQCPKTDCVOZ-UHFFFAOYSA-N- Molecular formula
- C19H23N3O8S2
- Average molar mass
- 485.5 g/mol
- Monoisotopic mass
- 485.09265705
Names & identifiers
- Preferred name
- Azobenzene, 4-bis(2-(methylsulfonyloxy)ethyl)amino-2'-carboxy-
- IUPAC
- 2-[[4-[bis(2-methylsulfonyloxyethyl)amino]phenyl]diazenyl]benzoic acid
- English name
- 2-[[4-[Bis[2-[(methylsulfonyl)oxy]ethyl]amino]phenyl]azo]benzoic acid
- Molecular formula
- C19H23N3O8S2
- Molecular weight
- 485.53
Names & synonyms
40136-84-3NSC240597Azobenzene, 4-bis(2-(methylsulfonyloxy)ethyl)amino-2'-carboxy-3CR3Y6SY25BENZOIC ACID, 2-(4-(BIS(2-(METHYLSULFONYLOXY)ETHYL))AMINO)PHENYLAZO-NSC-240597NSC 2405972-[[4-[bis(2-methylsulfonyloxyethyl)amino]phenyl]diazenyl]benzoic acidUNII-3CR3Y6SY25DTXSID001384304Benzoic acid, 2-[[4-[bis[2-[(methylsulfonyl)oxy]ethyl]amino]phenyl]azo]-2-((4-(Bis(2-((methylsulfonyl)oxy)ethyl)amino)phenyl)diazenyl)benzoic acid
Show more names
2-[[4-[Bis[2-[(methylsulfonyl)oxy]ethyl]amino]phenyl]azo]benzoic acidBenzoic acid, 2-[2-[4-[bis[2-[(methylsulfonyl)oxy]ethyl]amino]phenyl]diazenyl]-
2-[(E)-[4-[bis(2-methylsulfonyloxyethyl)amino]phenyl]azo]benzoic acid2-(2-(4-(BIS(2-((METHYLSULFONYL)OXY)ETHYL)AMINO)PHENYL)DIAZENYL)BENZOIC ACIDBENZOIC ACID, 2-(2-(4-(BIS(2-((METHYLSULFONYL)OXY)ETHYL)AMINO)PHENYL)DIAZENYL)-
Database identifiers
- CAS
40136-84-3- PubChem CID
- 38394
- DTXSID
DTXSID001384304- UNII
- 3CR3Y6SY25
- Nikkaji
- J41.202C
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 169 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 12
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 790
Physicochemical properties
- Boiling point
- 780.5 · 780.5±60.0 °C(Predicted)
- Density
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- pka
- 3.41 · 3.41±0.36(Predicted)
- FDA UNII
- 3 CR3Y6SY25 · 3CR3Y6SY25
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Compound notes
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