N-[4,8-dihydroxy-5-[(4-methoxybenzoyl)amino]-9,10-dioxoanthracen-1-yl]-4-methoxybenzamide
Basic information
- CAS
3076-87-7- Standard SMILES
COc1ccc(C(=O)Nc2ccc(O)c3c2C(=O)c2c(O)ccc(NC(=O)c4ccc(OC)cc4)c2C3=O)cc1- InChIKey
CWTAJVLVXTWHMD-UHFFFAOYSA-N- Molecular formula
- C30H22N2O8
- Average molar mass
- 538.5 g/mol
- Monoisotopic mass
- 538.13761566
Overview
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Names & identifiers
- Preferred name
- N-[4,8-dihydroxy-5-[(4-methoxybenzoyl)amino]-9,10-dioxoanthracen-1-yl]-4-methoxybenzamide
- IUPAC
- N-[4,8-dihydroxy-5-[(4-methoxybenzoyl)amino]-9,10-dioxoanthracen-1-yl]-4-methoxybenzamide
- English name
- N,N'-(9,10-dihydro-4,8-dihydroxy-9,10-dioxoanthracene-1,5-diyl)bis[4-methoxybenzamide]
- Molecular formula
- C30H22N2O8
- Molecular weight
- 538.5
Names & synonyms
3076-87-7N-[4,8-dihydroxy-5-[(4-methoxybenzoyl)amino]-9,10-dioxoanthracen-1-yl]-4-methoxybenzamideN,N'-(9,10-Dihydro-4,8-dihydroxy-9,10-dioxoanthracene-1,5-diyl)bis(4-methoxybenzamide)N,N'-(9,10-dihydro-4,8-dihydroxy-9,10-dioxoanthracene-1,5-diyl)bis[4-methoxybenzamide]EINECS 221-357-0n,n'-(4,8-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-1,5-diyl)bis(4-methoxybenzamide)DTXSID00952974CWTAJVLVXTWHMD-UHFFFAOYSA-NNS00046375Vat Violet 17C.I.63365Vat Brilliant
Show more names
C.I.Vat Violet 17Vat Brilliant Violet RKVat violet 17 (C.I. 63365)C.I.Vat Violet 17:C.I.63365Cibanone Brilliant Violet RKIndanthren Brilliant Violet RK
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 881
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Boiling point
- 674.5 · 674.5±55.0 °C(Predicted)
- Density
- 1.488 · 1.488±0.06 g/cm3(Predicted)
- pka
- 6.14 · 6.14±0.20(Predicted)
Chemistry & industry
Preparation methods
Preparation1,5-Diamino-4,8-dihydroxyanthracene-9,10-dione and 4-Methoxybenzoyl chloridecondensation. NOTE: The product may contain a benzoyl group and a methoxy benzoyl.
Upstream & downstream products
Upstream raw materials
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