Basic information
- CAS
23552-74-1- Standard SMILES
Cc1cc(C)c(S(=O)(=O)NC2CCCCC2)c(C)c1Nc1ccc(Nc2c(C)cc(C)c(S(=O)(=O)NC3CCCCC3)c2C)c2c1C(=O)c1ccccc1C2=O- InChIKey
AYYCRXDSCYPSRP-UHFFFAOYSA-N- Molecular formula
- C44H52N4O6S2
- Average molar mass
- 797 g/mol
- Monoisotopic mass
- 796.33282774
Names & identifiers
- Preferred name
- 4,4'-(1,4-Anthraquinonylenediimino)bis(N-cyclohexyl-2-mesitylenesulfonamide
- IUPAC
- N-cyclohexyl-3-[[4-[3-(cyclohexylsulfamoyl)-2,4,6-trimethylanilino]-9,10-dioxoanthracen-1-yl]amino]-2,4,6-trimethylbenzenesulfonamide
- English name
- 3,3'-[(9,10-dihydro-9,10-dioxo-1,4-anthrylene)diimino]bis[N-cyclohexyl-2,4,6-trimethylbenzenesulphonamide]
- Molecular formula
- C44H52N4O6S2
- Molecular weight
- 797.04
Names & synonyms
23552-74-14,4'-(1,4-Anthraquinonylenediimino)bis(N-cyclohexyl-2-mesitylenesulfonamideEINECS 245-728-10G554QB9AE3,3'-[(9,10-Dihydro-9,10-dioxo-1,4-anthrylene)diimino]bis[N-cyclohexyl-2,4,6-trimethylbenzenesulphonamide]Benzenesulfonamide, 3,3'-[(9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)diimino]bis[N-cyclohexyl-2,4,6-trimethyl-DTXSID5066906EC 245-728-13,3'-((9,10-Dihydro-9,10-dioxoanthracene-1,4-diyl)bis(amino))bis(N-cyclohexyl-2,4,6-trimethylbenzenesulfonamide)Benzenesulfonamide, 3,3'-((9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)diimino)bis(N-cyclohexyl-2,4,6-trimethyl-2-MESITYLENESULFONAMIDE, 4,4'-(1,4-ANTHRAQUINONYLENEDIIMINO)BIS(N-CYCLOHEXYL-3,3'-((9,10-Dihydro-9,10-dioxo-1,4-anthrylene)diimino)bis(N-cyclohexyl-2,4,6-trimethylbenzenesulphonamide)
Show more names
Benzenesulfonamide, 3,3-(9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)diiminobisN-cyclohexyl-2,4,6-trimethyl-3,3'-[(9,10-Dihydro-9,10-dioxo-1,4-anthracenediyl)diimino]bis(N-cyclohexyl-2,4,6-trimethylbenzenesulfonamide)
Properties
Computed structural properties
- XLogP
- 9.7
- Topological polar surface area
- 167 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 10
- Heavy atoms
- 56
- Formal charge
- 0
- Complexity
- 1,480
Physicochemical properties
- Boiling point
- 900.2 · 900.2±75.0 °C(Predicted)
- Density
- 1.34 · 1.34
- vapor pressure
- 0.001 Pa · 0.001Pa at 20℃
- form
- Powder
- pka
- 11.97 · 11.97±0.20(Predicted)
- LogP
- 2.62 · 2.62-2.7 at 22℃ and pH7
- FDA UNII
- 0 G554QB9AE · 0G554QB9AE
- EPA Substance Registry System
- 3 · Benzenesulfonamide, 3,3'-[(9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)diimino]bis[N-cyclohexyl-2,4,6-trimethyl- (23552-74-1)
- TSCA
- TSCA listed
- REACH Registrations
- Active
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (2048 of 2048) of all reports.
Not Classified
Aggregated GHS information provided per 2048 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Benzenesulfonamide, 3,3'-[(9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)diimino]bis[N-cyclohexyl-2,4,6-trimethyl-
REACH registered substance: 3,3'-[(9,10-dihydro-9,10-dioxo-1,4-anthrylene)diimino]bis[N-cyclohexyl-2,4,6-trimethylbenzenesulphonamide] (EC: 245-728-1)
Benzenesulfonamide, 3,3'-[(9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)diimino]bis[N-cyclohexyl-2,4,6-trimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- REACH Registrations
- Active
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenesulfonamide, 3,3'-[(9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)diimino]bis[N-cyclohexyl-2,4,6-trimethyl-: ACTIVE
Suppliers7 total
Alfa Chemistry1-516-6625404 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
安泰精细化工技术有限公司18503026267 · [email protected]
陕西缔都医药化工有限公司029-81154043 17391733319 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
重庆卡兰医药有限公司[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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