Basic information
- CAS
129-28-2- Standard SMILES
O=C(Nc1cccc2c1C(=O)c1cccc(Nc3cccc4c3C(=O)c3cccc(NC(=O)c5ccccc5)c3C4=O)c1C2=O)c1ccccc1- InChIKey
INRJLKFJRQCGOR-UHFFFAOYSA-N- Molecular formula
- C42H25N3O6
- Average molar mass
- 667.7 g/mol
- Monoisotopic mass
- 667.17433553
Names & identifiers
- Preferred name
- 1,1'-Iminobis(5-benzamidoanthraquinone)
- IUPAC
- N-[5-[(5-benzamido-9,10-dioxoanthracen-1-yl)amino]-9,10-dioxoanthracen-1-yl]benzamide
- English name
- N,N'-[iminobis(9,10-dihydro-9,10-dioxoanthracene-5,1-diyl)]bis(benzamide)
- Molecular formula
- C42H25N3O6
- Molecular weight
- 667.66
Names & synonyms
KSI0G7WS5A1,1'-Iminobis(5-benzamidoanthraquinone)Benzamide, N,N'-[iminobis(9,10-dihydro-9,10-dioxo-5,1-anthracenediyl)]bis-NSC-13991DTXSID4059596Benzamide, N,N'-(iminobis(9,10-dihydro-9,10-dioxo-5,1-anthracenediyl))bis-N,N'-(IMINOBIS(9,10-DIHYDRO-9,10-DIOXO-5,1-ANTHRACENEDIYL))BIS(BENZAMIDE)1,1'-Iminobis[5-benzamidoanthraquinone]N,N'-[Iminobis(9,10-dihydro-9,10-dioxo-5,1-anthracenediyl)]bis[benzamide]RefChem:409271DTXCID4033920129-28-2
Show more names
1,1'-Iminobis[5-(benzoylamino)-9,10-anthraquinone]N,N'-[iminobis(9,10-dihydro-9,10-dioxoanthracene-5,1-diyl)]bis(benzamide)
NSC13991N-[5-[(5-benzamido-9,10-dioxoanthracen-1-yl)amino]-9,10-dioxoanthracen-1-yl]benzamideBenzamide, N,N'-(iminodi-5,1-anthraquinonylene)bis-N,N/'-[iminobis(9,10-dihydro-9,10-dioxoanthracene-5,1-diyl)]bis(benzamide)EINECS 204-938-3Anthraquinone der.5,1'-dianthrimideNSC 13991
Database identifiers
- CAS
129-28-2- PubChem CID
- 67207
- DTXSID
DTXSID4059596- UNII
- KSI0G7WS5A
- EC Number
- 204-938-3
- Nikkaji
- J132.842E
Properties
Computed structural properties
- XLogP
- 8.7
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 1,280
Physicochemical properties
- Boiling point
- 786.5 · 786.5±60.0 °C(Predicted)
- Density
- 1.475 · 1.475±0.06 g/cm3(Predicted)
- pka
- 12.05 · 12.05±0.20(Predicted)
- FDA UNII
- 0 G7WS5A · KSI0G7WS5A
- EPA Substance Registry System
- Benzamide, N,N'-[iminobis(9,10-dihydro-9,10-dioxo-5,1-anthracenediyl)]bis- (129-28-2)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzamide, N,N'-[iminobis(9,10-dihydro-9,10-dioxo-5,1-anthracenediyl)]bis-: INACTIVE
Suppliers2 total
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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